Pyrrolines

Organic heterocyclic compounds that consist of a five-membered ring with four carbon atoms, one nitrogen atom, and one double bond.

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3-Pyrroline, tech. 85% (remainder pyrrolidine)

CAS: 109-96-6 Molecular Formula: C4H7N Molecular Weight (g/mol): 69.107 MDL Number: MFCD00005213 InChI Key: JVQIKJMSUIMUDI-UHFFFAOYSA-N PubChem CID: 66059 ChEBI: CHEBI:20198 IUPAC Name: 2,5-dihydro-1H-pyrrole SMILES: C1C=CCN1

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PubChem CID	66059
CAS	109-96-6
Molecular Weight (g/mol)	69.107
ChEBI	CHEBI:20198
MDL Number	MFCD00005213
SMILES	C1C=CCN1
IUPAC Name	2,5-dihydro-1H-pyrrole
InChI Key	JVQIKJMSUIMUDI-UHFFFAOYSA-N
Molecular Formula	C4H7N

PubChem CID	66059
CAS	109-96-6
Molecular Weight (g/mol)	69.107
ChEBI	CHEBI:20198
MDL Number	MFCD00005213
SMILES	C1C=CCN1
IUPAC Name	2,5-dihydro-1H-pyrrole
InChI Key	JVQIKJMSUIMUDI-UHFFFAOYSA-N
Molecular Formula	C4H7N

2-Methyl-1-pyrroline, Thermo Scientific Chemicals

CAS: 872-32-2 Molecular Formula: C5H10N Molecular Weight (g/mol): 84.14 MDL Number: MFCD00128806 InChI Key: OZLJZWIVBYLSOK-UHFFFAOYSA-N Synonym: 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 PubChem CID: 70103 ChEBI: CHEBI:78856 IUPAC Name: 5-methyl-3,4-dihydro-2H-pyrrole SMILES: C[C+]1CCCN1

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PubChem CID	70103
CAS	872-32-2
Molecular Weight (g/mol)	84.14
ChEBI	CHEBI:78856
MDL Number	MFCD00128806
SMILES	C[C+]1CCCN1
Synonym	2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412
IUPAC Name	5-methyl-3,4-dihydro-2H-pyrrole
InChI Key	OZLJZWIVBYLSOK-UHFFFAOYSA-N
Molecular Formula	C5H10N

2-Methyl-1-pyrroline, 98%, Thermo Scientific Chemicals

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PubChem CID	70103
CAS	872-32-2
Molecular Weight (g/mol)	84.14
ChEBI	CHEBI:78856
MDL Number	MFCD00128806
SMILES	C[C+]1CCCN1
Synonym	2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412
InChI Key	OZLJZWIVBYLSOK-UHFFFAOYSA-N
Molecular Formula	C5H10N

3-Ethyl-4-methyl-3-pyrrolin-2-one, 98%

CAS: 766-36-9 Molecular Formula: C7H11NO Molecular Weight (g/mol): 125.17 MDL Number: MFCD00173861 InChI Key: YCTNTSVMJWIYTQ-UHFFFAOYSA-N Synonym: 3-ethyl-4-methyl-3-pyrrolin-2-one,3-ethyl-4-methyl-3-pyrroline-2-one,3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one,3-ethyl-4-methyl-1h-pyrrol-2 5h-one,1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one,2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl,3-ethyl-4-methyl-2-oxo-3-pyrroline,3-ethyl-4-methyl-1,5-dihydropyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one,pubchem12392 PubChem CID: 854146 SMILES: CCC1=C(C)CNC1=O

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PubChem CID	854146
CAS	766-36-9
Molecular Weight (g/mol)	125.17
MDL Number	MFCD00173861
SMILES	CCC1=C(C)CNC1=O
Synonym	3-ethyl-4-methyl-3-pyrrolin-2-one,3-ethyl-4-methyl-3-pyrroline-2-one,3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one,3-ethyl-4-methyl-1h-pyrrol-2 5h-one,1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one,2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl,3-ethyl-4-methyl-2-oxo-3-pyrroline,3-ethyl-4-methyl-1,5-dihydropyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one,pubchem12392
InChI Key	YCTNTSVMJWIYTQ-UHFFFAOYSA-N
Molecular Formula	C7H11NO

2-[4-(Methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]acetic acid, 97%, Thermo Scientific™

CAS: 77978-73-5 Molecular Formula: C9H11NO5 Molecular Weight (g/mol): 213.189 MDL Number: MFCD00173859 InChI Key: WLKUVVIAHUXPSB-UHFFFAOYSA-N Synonym: 2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl acetic acid,4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,1h-pyrrole-3-aceticacid, 2,3-dihydro-4-methoxycarbonyl-5-methyl-2-oxo,maybridge1_002247,3-methoxycarbonyl-2-methyl-5-oxo-2-pyrrolin-4-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3yl acetic acid PubChem CID: 2774998 IUPAC Name: 2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid SMILES: CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC

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Specifications

PubChem CID	2774998
CAS	77978-73-5
Molecular Weight (g/mol)	213.189
MDL Number	MFCD00173859
SMILES	CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC
Synonym	2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl acetic acid,4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,1h-pyrrole-3-aceticacid, 2,3-dihydro-4-methoxycarbonyl-5-methyl-2-oxo,maybridge1_002247,3-methoxycarbonyl-2-methyl-5-oxo-2-pyrrolin-4-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3yl acetic acid
IUPAC Name	2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid
InChI Key	WLKUVVIAHUXPSB-UHFFFAOYSA-N
Molecular Formula	C9H11NO5

4-Methoxy-3-pyrrolin-2-one, 99%

CAS: 69778-83-2 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD00071564 InChI Key: TXKQBYYDTLOLHA-UHFFFAOYSA-N Synonym: 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one PubChem CID: 574769 IUPAC Name: 3-methoxy-1,2-dihydropyrrol-5-one SMILES: COC1=CC(=O)NC1

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Specifications

PubChem CID	574769
CAS	69778-83-2
Molecular Weight (g/mol)	113.116
MDL Number	MFCD00071564
SMILES	COC1=CC(=O)NC1
Synonym	4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one
IUPAC Name	3-methoxy-1,2-dihydropyrrol-5-one
InChI Key	TXKQBYYDTLOLHA-UHFFFAOYSA-N
Molecular Formula	C5H7NO2

3-Hydroxymethyl-(1-oxy-2,2,5,5-tetramethylpyrroline), TRC

CAS: 55738-75-5 Molecular Formula: C9 H16 N O2 Molecular Weight (g/mol): 170.23 Synonym: 1H-Pyrrol-1-yloxy, 2,5-dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-,2,5-Dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy,3-Hydroxymethyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy,3-Hydroxymethyl-2,2,5,5-tetramethylpyrrolin-1-oxyl,3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl,3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-1-oxyl IUPAC Name: (1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)methanol SMILES: CC1(C)C=C(CO)C(C)(C)N1[O]

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CAS	55738-75-5
Molecular Weight (g/mol)	170.23
SMILES	CC1(C)C=C(CO)C(C)(C)N1[O]
Synonym	1H-Pyrrol-1-yloxy, 2,5-dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-,2,5-Dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy,3-Hydroxymethyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy,3-Hydroxymethyl-2,2,5,5-tetramethylpyrrolin-1-oxyl,3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl,3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-1-oxyl
IUPAC Name	(1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)methanol
Molecular Formula	C9 H16 N O2

3-Methoxycarbonyl-2,2,5,5-tetramethyl-3-pyrrolidin-1-oxyl, TRC

CAS: 2154-32-7 Molecular Formula: C10 H18 N O3 Molecular Weight (g/mol): 200.25 IUPAC Name: methyl 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrolidine-3-carboxylate SMILES: COC(=O)C1CC(C)(C)N([O])C1(C)C

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CAS	2154-32-7
Molecular Weight (g/mol)	200.25
SMILES	COC(=O)C1CC(C)(C)N([O])C1(C)C
IUPAC Name	methyl 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
Molecular Formula	C10 H18 N O3

myo-Inositol Hexaacetate, TRC

CAS: 1254-38-2 Molecular Formula: C18 H24 O12 Molecular Weight (g/mol): 432.38 IUPAC Name: (2,3,4,5,6-pentaacetyloxycyclohexyl) acetate SMILES: CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

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Specifications

CAS	1254-38-2
Molecular Weight (g/mol)	432.38
SMILES	CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
IUPAC Name	(2,3,4,5,6-pentaacetyloxycyclohexyl) acetate
Molecular Formula	C18 H24 O12

Fluoroimide, TRC

CAS: 41205-21-4 Molecular Formula: C10 H4 Cl2 F N O2 Molecular Weight (g/mol): 260.05 Synonym: 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione,2,3-Dichloro-N-(4-fluorophenyl)maleimide,2,3-Dichloro-N-(p-fluorophenyl)maleimide,Fluoroimide,Fluoromide,MK 23,N-(4-Fluorophenyl)-2,3-dichloromaleimide,N-(4-Fluorophenyl)dichloromaleimide,N-(p-Fluorophenyl)-2,3-dichloromaleimide,NSC 622384,Spartcide,Spat IUPAC Name: 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione SMILES: Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl

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CAS	41205-21-4
Molecular Weight (g/mol)	260.05
SMILES	Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl
Synonym	3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione,2,3-Dichloro-N-(4-fluorophenyl)maleimide,2,3-Dichloro-N-(p-fluorophenyl)maleimide,Fluoroimide,Fluoromide,MK 23,N-(4-Fluorophenyl)-2,3-dichloromaleimide,N-(4-Fluorophenyl)dichloromaleimide,N-(p-Fluorophenyl)-2,3-dichloromaleimide,NSC 622384,Spartcide,Spat
IUPAC Name	3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione
Molecular Formula	C10 H4 Cl2 F N O2

4-Bromo-(1-oxyl-2,2,5,5-tetramethyl-∆3-pyrroline-3-methyl) Methanethiosulfonate, TRC

CAS: 215956-55-1 Molecular Formula: C10 H17 Br N O3 S2 Molecular Weight (g/mol): 343.28 IUPAC Name: 3-bromo-1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole SMILES: CC1(C)N([O])C(C)(C)C(=C1Br)CSS(=O)(=O)C

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Specifications

CAS	215956-55-1
Molecular Weight (g/mol)	343.28
SMILES	CC1(C)N([O])C(C)(C)C(=C1Br)CSS(=O)(=O)C
IUPAC Name	3-bromo-1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole
Molecular Formula	C10 H17 Br N O3 S2

(1-Oxyl-2,2,5,5-tetramethyl-Delta-3-pyrroline-3-methyl) Methanethiosulfonate, TRC

CAS: 81213-52-7 Molecular Formula: C10 H18 N O3 S2 Molecular Weight (g/mol): 264.38 Synonym: (1-Oxyl-2,2,5,5-Tetramethyl-3-Pyrroline-3-Methyl) Methanethiosulfonate-D15 IUPAC Name: 1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole SMILES: CC1(C)C=C(CSS(=O)(=O)C)C(C)(C)N1[O]

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Specifications

CAS	81213-52-7
Molecular Weight (g/mol)	264.38
SMILES	CC1(C)C=C(CSS(=O)(=O)C)C(C)(C)N1[O]
Synonym	(1-Oxyl-2,2,5,5-Tetramethyl-3-Pyrroline-3-Methyl) Methanethiosulfonate-D15
IUPAC Name	1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole
Molecular Formula	C10 H18 N O3 S2

(1-Acetoxy-2,2,5,5-tetramethyl-Delta-3-pyrroline-3-methyl) Methanethiosulfonate, TRC

CAS: 392718-69-3 Molecular Formula: C12H21NO4S2 Molecular Weight (g/mol): 307.43 Synonym: (1-Acetoxy-2,2,5,5-Tetramethyl-D-3-Pyrroline-3-Methyl) Methanesulfonate IUPAC Name: [2,2,5,5-tetramethyl-3-(methylsulfonothioyloxymethyl)pyrrol-1-yl] acetate SMILES: CC(=O)ON1C(C)(C)C=C(COS(=O)(=S)C)C1(C)C

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CAS	392718-69-3
Molecular Weight (g/mol)	307.43
SMILES	CC(=O)ON1C(C)(C)C=C(COS(=O)(=S)C)C1(C)C
Synonym	(1-Acetoxy-2,2,5,5-Tetramethyl-D-3-Pyrroline-3-Methyl) Methanesulfonate
IUPAC Name	[2,2,5,5-tetramethyl-3-(methylsulfonothioyloxymethyl)pyrrol-1-yl] acetate
Molecular Formula	C12H21NO4S2

1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylate N-Hydroxysuccinimide Ester, TRC

CAS: 37558-29-5 Molecular Formula: C13 H17 N2 O5 Molecular Weight (g/mol): 281.28 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrole-3-carboxylate SMILES: CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]

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Specifications

CAS	37558-29-5
Molecular Weight (g/mol)	281.28
SMILES	CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrole-3-carboxylate
Molecular Formula	C13 H17 N2 O5

Pyrrolines

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