Basic information
- Standard SMILES
CN1CCCC1=C(C#N)c1ccc(Cl)cc1- InChIKey
HAOPIERKSRONPQ-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2
- Average molar mass
- 232.71 g/mol
Names & identifiers
- Preferred name
- 2-(alpha-Cyano-4-chlorobenzylidene)-1-methylpyrrolidine
- IUPAC
- 2-(4-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetonitrile
Names & synonyms
SCHEMBL11383931HAOPIERKSRONPQ-UHFFFAOYSA-N2-(alpha-cyano-4-chlorobenzylidene)-1-methylpyrrolidine
Database identifiers
- PubChem CID
- 53867175
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Related reactions
3 records
Compound notes
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