1-Phenyl-1,4-diazepan-5-one
Basic information
- CAS
55186-91-9- Standard SMILES
O=C1CCN(c2ccccc2)CCN1- InChIKey
NQBVEGQURCFGSH-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 1-Phenyl-1,4-diazepan-5-one
- IUPAC
- 1-phenyl-1,4-diazepan-5-one
- English name
- 1-Phenyl-[1,4]diazepan-5-one
- Molecular formula
- C11H14N2O
- Molecular weight
- 190.24
Names & synonyms
1-phenyl-1,4-diazepan-5-one55186-91-9DTXSID20653032DB-0719521-Phenyl-[1,4]diazepan-5-one1-phenyl-hexahydro-[1,4]diazepin-5-onehexahydro-1-phenyl-5H-1,4-Diazepin-5-one5H-1,4-Diazepin-5-one, hexahydro-1-phenyl-
Database identifiers
- CAS
55186-91-9- PubChem CID
- 34178652
- DTXSID
DTXSID20653032
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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