Basic information
- Standard SMILES
N#C[C@@H]1CCCN1- InChIKey
ALSCEGDXFJIYES-YFKPBYRVSA-N- Molecular formula
- C5H8N2
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.06874826
Names & identifiers
- Preferred name
- (2S)-pyrrolidine-2-carbonitrile
- IUPAC
- (2S)-pyrrolidine-2-carbonitrile
Names & synonyms
(S)-pyrrolidine-2-carbonitrile204387-53-1(2S)-pyrrolidine-2-carbonitrile(2S)-2-Pyrrolidinecarbonitrile2-Pyrrolidinecarbonitrile, (2S)-Vildagliptin Impurity 42MFCD06656005SCHEMBL1154203SCHEMBL3515673CHEMBL1076165ALSCEGDXFJIYES-YFKPBYRVSA-NAKOS006282312
Show more names
PD139960CS-0165384EN300-248735Q27464712(S)-pyrrolidine-2-carbonitrile? (Vildagliptin Impurity pound(c)
Database identifiers
- PubChem CID
- 5706552
- ChEMBL
CHEMBL1076165
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 99
Related reactions
6 records
Compound notes
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