Basic information
- CAS
16675-71-1- Standard SMILES
COc1cc2c(cc1OC)CN1CCC(=O)CC1C2- InChIKey
LTRGVYPKENVTPE-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- 8,9-Dimethoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one
- IUPAC
- 8,9-dimethoxy-1,3,4,6,11,11a-hexahydrobenzo[b]quinolizin-2-one
Names & synonyms
16675-71-18,9-dimethoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-oneNSC131702SCHEMBL9765940DTXSID00299639NSC-131702
Database identifiers
- CAS
16675-71-1- PubChem CID
- 280246
- DTXSID
DTXSID00299639
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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