3-But-3-enyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Basic information
- CAS
67455-69-0- Standard SMILES
C=CCCC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O- InChIKey
TUMMFTBRTOFPNA-UHFFFAOYSA-N- Molecular formula
- C19H25NO3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.18344366
Names & identifiers
- Preferred name
- 3-But-3-enyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
- IUPAC
- 3-but-3-enyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Names & synonyms
67455-69-0NSC2799133-but-3-enyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-oneDTXSID10314024NSC-279913DS-0041182H-benzo[a]quinolizin-2-one, 3-(3-butenyl)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(But-3-en-1-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
Database identifiers
- CAS
67455-69-0- PubChem CID
- 322441
- DTXSID
DTXSID10314024
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
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Related reactions
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Compound notes
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