Basic information
- CAS
5096-59-3- Standard SMILES
CC12CC34C5CCCN3CC=CC4(O)C1CC5OC2=O- InChIKey
AAZRLGLWPJJDGC-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- 1,5:4,12b-Dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one, 4,5,5a,8,10,11,12,12a-octahydro-5a-hydroxy-4-methyl-, [1R-(1alpha,4beta,5alpha,5abeta,12aalpha,12bbeta)]-
- IUPAC
- 10-hydroxy-16-methyl-14-oxa-6-azapentacyclo[8.7.0.01,6.02,13.011,16]heptadec-8-en-15-one
Names & synonyms
SCHEMBL27791615AAZRLGLWPJJDGC-UHFFFAOYSA-N1,5:4,12b-Dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one, 4,5,5a,8,10,11,12,12a-octahydro-5a-hydroxy-4-methyl-, [1R-(1.alpha.,4.beta.,5.alpha.,5a.beta.,12a.alpha.,12b.beta.)]-
Database identifiers
- CAS
5096-59-3- PubChem CID
- 535360
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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