Basic information
- Standard SMILES
CCC1(O)CCN(c2ccc(C#N)c(Cl)c2)C1C(C)C- InChIKey
MHTDPLMBAHMXKH-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O
- Average molar mass
- 292.8 g/mol
- Monoisotopic mass
- 292.134241
Names & identifiers
- Preferred name
- 2-Chloro-4-(3-ethyl-3-hydroxy-2-propan-2-ylpyrrolidin-1-yl)benzonitrile
- IUPAC
- 2-chloro-4-(3-ethyl-3-hydroxy-2-propan-2-ylpyrrolidin-1-yl)benzonitrile
Database identifiers
- PubChem CID
- 72267191
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
1 records
Compound notes
Loading…