Basic information
- CAS
57458-50-1- Standard SMILES
CN1[C@H]2CC[C@@H]1[C@H]1[C@H](Cc3ccccc3[C@@H]1O)C2- InChIKey
KLKQXLPLFHRSIS-IPQWEPCOSA-N- Molecular formula
- C16H21NO
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.16231429
Names & identifiers
- Preferred name
- 5H-Cyclohepta(b)naphthalen-6,9-imin-5-ol, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, (5R-(5-alpha,5a-alpha,6-alpha,9-alpha,10a-alpha))-
- IUPAC
- (1R,2R,3R,11R,13S)-16-methyl-16-azatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-trien-3-ol
Names & synonyms
DTXSID6020606657458-50-15H-Cyclohepta(b)naphthalen-6,9-imin-5-ol, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, (5R-(5-alpha,5a-alpha,6-alpha,9-alpha,10a-alpha))-RefChem:305395DTXCID60128557(5R,5aR,6R,9S,10aR)-12-Methyl-5a,6,7,8,9,10,10a,11-octahydro-5H-6,9-epiminocyclohepta[b]naphthalen-5-ol
Database identifiers
- CAS
57458-50-1- PubChem CID
- 42301
- DTXSID
DTXSID60206066
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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