Basic information
- Standard SMILES
CN(C)[C@H]1CCN(c2cc(Cl)ccc2C#N)C1- InChIKey
YIQRFQWNXSDWDM-LBPRGKRZSA-N- Molecular formula
- C13H16ClN3
- Average molar mass
- 249.74 g/mol
- Monoisotopic mass
- 249.1032752
Names & identifiers
- IUPAC
- 4-chloro-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]benzonitrile
Database identifiers
- PubChem CID
- 98529493
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Related reactions
1 records
Linked notes
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