Basic information
- Standard SMILES
c1ccc(N2c3ccccc3[C@@H]3CNCC[C@H]32)cc1- InChIKey
CJWPRFAPIUPOSX-DOTOQJQBSA-N- Molecular formula
- C17H18N2
- Average molar mass
- 250.34 g/mol
Names & identifiers
- Preferred name
- trans-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
- IUPAC
- (4aR,9bR)-5-phenyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
Names & synonyms
SCHEMBL11052131CJWPRFAPIUPOSX-DOTOQJQBSA-Ntrans-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole(+/-)-trans-2,3,4,4a,5,9b-hexahydro-5-phenyl-1H-pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 22809263
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
4 records
Compound notes
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