Cas no 100383-27-5 (2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-3,4-dimethyl-)
100383-27-5 structure
Product Name:2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-3,4-dimethyl-
CAS No:100383-27-5
MF:C8H11NO2
MW:153.178442239761
CID:124068
PubChem ID:121226505
Update Time:2025-04-18
2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-3,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-3,4-dimethyl-
- 1-acetyl-3,4-dimethyl-1,5-dihydro-pyrrol-2-one
- 3-Pyrrolin-2-one, 1-acetyl-3,4-dimethyl- (6CI)
- 1-Acetyl-3,4-dimethyl-1H-pyrrol-2(5H)-one
- 3-pyrrolin-2-one,1-acetyl-3,4-dimethyl-
- 100383-27-5
-
- Inchi： 1S/C8H11NO2/c1-5-4-9(7(3)10)8(11)6(5)2/h4H2,1-3H3
- InChI Key： OXVGCQPFWOIINW-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(C)CN1C(C)=O
Computed Properties
- Exact Mass: 153.078979g/mol
- Monoisotopic Mass: 153.078979g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 153.18g/mol
- XLogP3: -0.1
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38000
- LogP: 0.64940
2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-3,4-dimethyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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