(-)-Myrtine
Basic information
- CAS
82111-00-0- Standard SMILES
C[C@H]1CC(=O)C[C@@H]2CCCCN21- InChIKey
GDQCWCOVKFXWMP-IUCAKERBSA-N- Molecular formula
- C10H17NO
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.13101417
Names & identifiers
- Preferred name
- (-)-Myrtine
- IUPAC
- (4S,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
Names & synonyms
(-)-MyrtineMyrtine, (-)-4U3X3ZD8K5(-)-(4S,10S)-Myrtine(4S,9aS)-Octahydro-4-methyl-2H-quinolizin-2-one2H-Quinolizin-2-one, octahydro-4-methyl-, (4S,9aS)-2H-Quinolizin-2-one, octahydro-4-methyl-, (4S-cis)-82111-00-0
Database identifiers
- CAS
82111-00-0- PubChem CID
- 11073802
- UNII
- 4U3X3ZD8K5
- Nikkaji
- J640.750A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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