Basic information
- Standard SMILES
CN1CCC2(C)c3cc(O)ccc3N(C)C12- InChIKey
HKGWQUVGHPDEBZ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
Names & identifiers
- Preferred name
- Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, (3aS-cis)-
- IUPAC
- 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol
Names & synonyms
SCHEMBL150459CHEMBL2322559HKGWQUVGHPDEBZ-UHFFFAOYSA-NPyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, (3aS-cis)-AKOS005597732NS000006611,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ol #
Database identifiers
- PubChem CID
- 1250
- ChEMBL
CHEMBL2322559
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Related reactions
3 records
Compound notes
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