Cas no 918812-22-3 (Benzonitrile, 2-(1-pyrrolidinylcarbonyl)-)
918812-22-3 structure
Product Name:Benzonitrile, 2-(1-pyrrolidinylcarbonyl)-
CAS No:918812-22-3
MF:C12H12N2O
MW:200.236482620239
CID:770642
PubChem ID:58789215
Update Time:2025-04-19
Benzonitrile, 2-(1-pyrrolidinylcarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-(1-pyrrolidinylcarbonyl)-
- 2-(pyrrolidine-1-carbonyl)benzonitrile
- ZVSAYJJLIAZTNG-UHFFFAOYSA-N
- SCHEMBL4599304
- DTXSID30730085
- 918812-22-3
-
- Inchi： 1S/C12H12N2O/c13-9-10-5-1-2-6-11(10)12(15)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2
- InChI Key： ZVSAYJJLIAZTNG-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1C#N)N1CCCC1
Computed Properties
- Exact Mass: 200.094963011g/mol
- Monoisotopic Mass: 200.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 285
- 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: 1.6
- Topological Polar Surface Area: 44.1?2
Benzonitrile, 2-(1-pyrrolidinylcarbonyl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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