Basic information
- Standard SMILES
CC1(C#N)CNC1- InChIKey
VYFRXIJQTMYYGB-UHFFFAOYSA-N- Molecular formula
- C5H8N2
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.06874826
Names & identifiers
- Preferred name
- 3-Methylazetidine-3-carbonitrile
- IUPAC
- 3-methylazetidine-3-carbonitrile
Names & synonyms
3-methylazetidine-3-carbonitrile936909-11-4MFCD192278273-cyano-3-methylazetidineSCHEMBL512420VYFRXIJQTMYYGB-UHFFFAOYSA-NAKOS006377798DB-304798CS-0184207EN300-195276F77044
Database identifiers
- PubChem CID
- 55299484
Properties
Computed structural properties
- XLogP
- -0.3
- 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
- 115
Related reactions
6 records
Compound notes
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