4-Methyl-1,5,6,7,8,9-hexahydro-2h-cyclohepta[b]pyridin-2-one
Basic information
- CAS
76621-38-0- Standard SMILES
Cc1cc(=O)[nH]c2c1CCCCC2- InChIKey
KFTFIEWWBDUYDK-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 4-Methyl-1,5,6,7,8,9-hexahydro-2h-cyclohepta[b]pyridin-2-one
- IUPAC
- 4-methyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
Names & synonyms
4-methyl-1,5,6,7,8,9-hexahydro-2h-cyclohepta[b]pyridin-2-one76621-38-04-methyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-oneNSC150958DTXSID80302433NSC-150958
Database identifiers
- CAS
76621-38-0- PubChem CID
- 289264
- DTXSID
DTXSID80302433
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 299
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Related reactions
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Compound notes
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