1-Phenyl-3,4,5,6,7,8,9,10-octahydrocycloocta[b]pyridin-2-one
Basic information
- CAS
59245-53-3- Standard SMILES
O=C1CCC2=C(CCCCCC2)N1c1ccccc1- InChIKey
URPHUVDKOBIDJV-UHFFFAOYSA-N- Molecular formula
- C17H21NO
- Average molar mass
- 255.35 g/mol
- Monoisotopic mass
- 255.16231429
Names & identifiers
- Preferred name
- 1-Phenyl-3,4,5,6,7,8,9,10-octahydrocycloocta[b]pyridin-2-one
- IUPAC
- 1-phenyl-3,4,5,6,7,8,9,10-octahydrocycloocta[b]pyridin-2-one
- English name
- 12-phenyl-12-azabicyclo[6.4.0]dodec-13-en-11-one
- Molecular formula
- C17H21NO
- Molecular weight
- 255.35
Names & synonyms
59245-53-31-phenyl-3,4,5,6,7,8,9,10-octahydrocycloocta[b]pyridin-2-oneNSC242989DTXSID30311398NSC-2429891-Phenyl-3,4,5,6,7,8,9,10-octahydrocycloocta[b]pyridin-2(1H)-one12-phenyl-12-azabicyclo[6.4.0]dodec-13-en-11-oneCycloocta[b]pyridin-2(1H)-one, 3,4,5,6,7,8,9,10-octahydro-1-phenyl-
Database identifiers
- CAS
59245-53-3- PubChem CID
- 315929
- DTXSID
DTXSID30311398
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Melting point
- 86 · 86-87 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 419.2 · 419.2±28.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 0.36 · 0.36±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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