Cas no 700376-84-7 (2-Pyrrolidinecarbonitrile, 1-acetyl-, (2S)-)
700376-84-7 structure
Product Name:2-Pyrrolidinecarbonitrile, 1-acetyl-, (2S)-
CAS No:700376-84-7
MF:C7H10N2O
MW:138.167101383209
CID:557112
Update Time:2023-08-02
2-Pyrrolidinecarbonitrile, 1-acetyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinecarbonitrile,1-acetyl-, (2S)-
- 2-Pyrrolidinecarbonitrile,1-acetyl-,(2S)-(9CI)
- acetyl -2-cyano-(s)-pyrrolidine
- 2-Pyrrolidinecarbonitrile, 1-acetyl-, (2S)-
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- Inchi： 1S/C7H10N2O/c1-6(10)9-4-2-3-7(9)5-8/h7H,2-4H2,1H3/t7-/m0/s1
- InChI Key： ZHUTVLURGLOKMO-ZETCQYMHSA-N
- SMILES： O=C(C)N1CCC[C@H]1C#N
Computed Properties
- Exact Mass: 138.079
- Monoisotopic Mass: 138.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 191
- 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: 44.1
2-Pyrrolidinecarbonitrile, 1-acetyl-, (2S)- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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