2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-4(1H)-one
Basic information
- CAS
4942-85-2- Standard SMILES
O=C1CCCC2c3[nH]c4ccccc4c3CCN12- InChIKey
RAWPBTDNWLONTE-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Names & identifiers
- Preferred name
- 2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-4(1H)-one
- IUPAC
- 2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one
Names & synonyms
4942-85-2NSC3638642,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-4(1H)-oneSCHEMBL17500277DTXSID90320724NSC-3638641,2,3,5,6,7,12,12b-octahydro-pyrido[6,1-a]beta-carbolin-4-one
Database identifiers
- CAS
4942-85-2- PubChem CID
- 338983
- DTXSID
DTXSID90320724- Nikkaji
- J1.957.381H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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