1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone
Basic information
- CAS
42899-30-9- Standard SMILES
CC(=O)N1CCCC2=C1CCCCC2- InChIKey
PHRQQDYCTGCPLC-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone
- IUPAC
- 1-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanone
Names & synonyms
42899-30-91-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanoneNSC278027DTXSID90313873NSC-2780271-(2,3,4,5,6,7,8,9-Octahydro-1H-cyclohepta[b]pyridin-1-yl)ethan-1-one
Database identifiers
- CAS
42899-30-9- PubChem CID
- 322111
- DTXSID
DTXSID90313873
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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