Cas no 422545-97-9 (2-Pyrrolidineacetonitrile,1-acetyl-, (2S)-)
422545-97-9 structure
Product Name:2-Pyrrolidineacetonitrile,1-acetyl-, (2S)-
CAS No:422545-97-9
MF:C8H12N2O
MW:152.193681716919
CID:326689
PubChem ID:45085914
Update Time:2025-04-19
2-Pyrrolidineacetonitrile,1-acetyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidineacetonitrile,1-acetyl-, (2S)-
- 2-Pyrrolidineacetonitrile, 1-acetyl-, (2S)- (9CI)
- (S)-N-Acetyl-2-cyanomethylpyrrolidine
- (S)-2-(1-Acetylpyrrolidin-2-yl)acetonitrile
- ((S)-1-Acetylpyrrolidin-2-yl)acetonitrile
- 422545-97-9
- RQTTZJRWHBWKMS-QMMMGPOBSA-N
- SCHEMBL13739284
-
- Inchi: 1S/C8H12N2O/c1-7(11)10-6-2-3-8(10)4-5-9/h8H,2-4,6H2,1H3/t8-/m0/s1
- InChI Key: RQTTZJRWHBWKMS-QMMMGPOBSA-N
- SMILES: O=C(C)N1CCC[C@H]1CC#N
Computed Properties
- Exact Mass: 152.095
- Monoisotopic Mass: 152.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 203
- 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: 44.1A^2
- XLogP3: 0
2-Pyrrolidineacetonitrile,1-acetyl-, (2S)- Related Literature
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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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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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