Cas no 147637-82-9 (2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (S)- (9CI))
147637-82-9 structure
Product Name:2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (S)- (9CI)
CAS No:147637-82-9
MF:C9H11NO2
MW:165.189142465591
CID:100724
PubChem ID:45086345
Update Time:2025-04-18
2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (S)- (9CI)
- 2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-,(S)-(9ci)
- 147637-82-9
- 2H-Pyrrol-2-one, 1-acetyl-1,5-dihydro-5-(2-propenyl)-, (S)- (9CI)
-
- Inchi： 1S/C9H11NO2/c1-3-4-8-5-6-9(12)10(8)7(2)11/h3,5-6,8H,1,4H2,2H3/t8-/m0/s1
- InChI Key： FRQUKACJODCSIO-QMMMGPOBSA-N
- SMILES： O=C1C=C[C@H](CC=C)N1C(C)=O
Computed Properties
- Exact Mass: 165.07903
- Monoisotopic Mass: 165.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.4A^2
- XLogP3: 0.7
Experimental Properties
- PSA: 37.38
2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (S)- (9CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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