Basic information
- CAS
16675-72-2- Standard SMILES
COc1cc2c(cc1O)CC1CC(=O)CCN1C2- InChIKey
JDDREZHWKGTQBD-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- 9-Hydroxy-8-methoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one
- IUPAC
- 9-hydroxy-8-methoxy-1,3,4,6,11,11a-hexahydrobenzo[b]quinolizin-2-one
Names & synonyms
16675-72-2NSC1317009-hydroxy-8-methoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-oneDTXSID40299638AKOS004907102NSC-1317009-Hydroxy-8-methoxy-3,4,11,11a-tetrahydro-1H-pyrido[1,2-b]isoquinolin-2(6H)-one
Database identifiers
- CAS
16675-72-2- PubChem CID
- 280245
- DTXSID
DTXSID40299638
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…