Cas no 99557-24-1 (2-Pyrrolidinecarboxaldehyde,5-oxo-1-(2-propyn-1-yl)-)
99557-24-1 structure
Product Name:2-Pyrrolidinecarboxaldehyde,5-oxo-1-(2-propyn-1-yl)-
CAS No:99557-24-1
MF:C8H9NO2
MW:151.162562131882
CID:797176
PubChem ID:21791412
Update Time:2025-04-19
2-Pyrrolidinecarboxaldehyde,5-oxo-1-(2-propyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Pyrrolidinecarboxaldehyde,5-oxo-1-(2-propyn-1-yl)-
- 2-Pyrrolidinecarboxaldehyde, 5-oxo-1-(2-propynyl)- (9CI)
- 5-oxo-1-prop-2-ynylpyrrolidine-2-carbaldehyde
- 99557-24-1
- DTXSID50618119
- 5-Oxo-1-(prop-2-yn-1-yl)pyrrolidine-2-carbaldehyde
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- Inchi： 1S/C8H9NO2/c1-2-5-9-7(6-10)3-4-8(9)11/h1,6-7H,3-5H2
- InChI Key： ISMZAIDWSPHSKA-UHFFFAOYSA-N
- SMILES： O=C1CCC(C=O)N1CC#C
Computed Properties
- Exact Mass: 151.063328530g/mol
- Monoisotopic Mass: 151.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 37.4?2
2-Pyrrolidinecarboxaldehyde,5-oxo-1-(2-propyn-1-yl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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