Basic information
- CAS
66842-71-5- Standard SMILES
CN1Cc2c(c3c(n2C)CCCC3=O)C(O)C1- InChIKey
COLGGWLWGPYLIH-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 4-Hydroxy-2,9-dimethyl-1,3,4,6,7,8-hexahydropyrido[3,4-b]indol-5-one
- IUPAC
- 4-hydroxy-2,9-dimethyl-1,3,4,6,7,8-hexahydropyrido[3,4-b]indol-5-one
Names & synonyms
66842-71-5NSC2988584-hydroxy-2,9-dimethyl-1,3,4,6,7,8-hexahydropyrido[3,4-b]indol-5-oneDTXSID10316048NSC-298858DS-0057244-Hydroxy-2,9-dimethyl-1,2,3,4,6,7,8,9-octahydro-5H-pyrido[3,4-b]indol-5-one5H-pyrido[3,4-b]indol-5-one, 1,2,3,4,6,7,8,9-octahydro-4-hydroxy-2,9-dimethyl-
Database identifiers
- CAS
66842-71-5- PubChem CID
- 326792
- DTXSID
DTXSID10316048
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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