Basic information
- Standard SMILES
CCCCCCCCc1ccc(C(=O)N2CCC[C@H]2C#N)cc1- InChIKey
CPWSMJPESGXGKG-IBGZPJMESA-N- Molecular formula
- C20H28N2O
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- (S)-1-(4-octylbenzoyl)pyrrolidine-2-carbonitrile
- IUPAC
- (2S)-1-(4-octylbenzoyl)pyrrolidine-2-carbonitrile
Names & synonyms
SCHEMBL1164197CPWSMJPESGXGKG-IBGZPJMESA-N(S)-1-(4-octylbenzoyl)pyrrolidine-2-carbonitrile
Database identifiers
- PubChem CID
- 66927397
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
1 records
Compound notes
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