5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-one, O-propionyloxime
Basic information
- CAS
34144-42-8- Standard SMILES
CCC(=O)O/N=c1/c2ccccc2ccc2ncccc12- InChIKey
UICOOKZXYYXDSZ-ZPHPHTNESA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-one, O-propionyloxime
- IUPAC
- [(Z)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ylideneamino] propanoate
Names & synonyms
5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDIN-5-ONE, O-PROPIONYLOXIME34144-42-8RefChem:1073414BRN 1480713
Database identifiers
- CAS
34144-42-8- PubChem CID
- 9570529
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
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Compound notes
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