Basic information
- Standard SMILES
N#CC1CCCN1C(=O)CBr- InChIKey
AXSQCJKBHHSQBM-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O
- Average molar mass
- 217.06 g/mol
Names & identifiers
- Preferred name
- 1-(2-Bromoacetyl)pyrrolidine-2-carbonitrile
- IUPAC
- 1-(2-bromoacetyl)pyrrolidine-2-carbonitrile
Names & synonyms
1-(2-bromoacetyl)pyrrolidine-2-carbonitrile1824182-09-3SCHEMBL556926
Database identifiers
- PubChem CID
- 17860919
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 208
Related reactions
10 records
Compound notes
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