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Basic information
- Standard SMILES
COc1ccc(CCN2CCCC(=O)CC2)cc1- InChIKey
STJWNGCBCJZTOP-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- hexahydro-1-[2-(4-methoxyphenyl)ethyl]-4H-azepin-4-one
- IUPAC
- 1-[2-(4-methoxyphenyl)ethyl]azepan-4-one
Names & synonyms
SCHEMBL5023610STJWNGCBCJZTOP-UHFFFAOYSA-Nhexahydro-1-[2-(4-methoxyphenyl)ethyl]-4H-azepin-4-one
Database identifiers
- PubChem CID
- 69282946
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
2 records
Compound notes
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