Basic information
- CAS
16675-74-4- Standard SMILES
O=C1CCN2Cc3cc4c(cc3CC2C1)OCO4- InChIKey
VFQITYZWHSOFHY-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- 7,8,10A,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrido[1,2-b]isoquinolin-9(10H)-one
- IUPAC
- 5,7,8,10,10a,11-hexahydro-[1,3]benzodioxolo[6,5-b]quinolizin-9-one
Names & synonyms
16675-74-47,8,10A,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrido[1,2-b]isoquinolin-9(10H)-oneNSC131696AKOS004901673NSC-131696
Database identifiers
- CAS
16675-74-4- PubChem CID
- 280244
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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