Cas no 194155-79-8 (2-Propenoic acid,2-oxo-1-pyrrolidinyl ester)
194155-79-8 structure
Product Name:2-Propenoic acid,2-oxo-1-pyrrolidinyl ester
CAS No:194155-79-8
MF:C7H9NO3
MW:155.151262044907
CID:116533
PubChem ID:23286809
Update Time:2025-04-18
2-Propenoic acid,2-oxo-1-pyrrolidinyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid,2-oxo-1-pyrrolidinyl ester
- 2-Pyrrolidinone,1-[(1-oxo-2-propenyl)oxy]-(9CI)
- 194155-79-8
- SCHEMBL2519451
- (2-oxopyrrolidin-1-yl) prop-2-enoate
-
- Inchi: 1S/C7H9NO3/c1-2-7(10)11-8-5-3-4-6(8)9/h2H,1,3-5H2
- InChI Key: YHAXKEFFEXGTAE-UHFFFAOYSA-N
- SMILES: O(C(C=C)=O)N1C(CCC1)=O
Computed Properties
- Exact Mass: 155.058243149g/mol
- Monoisotopic Mass: 155.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 200
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- PSA: 46.61000
- LogP: 0.19090
2-Propenoic acid,2-oxo-1-pyrrolidinyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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