Cas no 25882-81-9 (2H-Azepin-2-one, hexahydro-7-phenyl-)

2H-Azepin-2-one, hexahydro-7-phenyl-, is a cyclic amide (lactam) derivative with a seven-membered azepine ring structure. This compound is of interest in organic synthesis and pharmaceutical research due to its rigid, nitrogen-containing heterocyclic framework, which serves as a versatile scaffold for developing bioactive molecules. The phenyl substituent at the 7-position enhances its potential for further functionalization, making it valuable in the design of peptidomimetics or small-molecule modulators. Its saturated hexahydro form improves stability compared to unsaturated analogs, facilitating handling and storage. The compound’s structural features may also contribute to studies in conformational analysis and ring-strain reactivity.

2H-Azepin-2-one, hexahydro-7-phenyl- structure

25882-81-9 structure

Product Name:2H-Azepin-2-one, hexahydro-7-phenyl-

CAS No:25882-81-9

MF:C₁₂H₁₅NO

MW:189.253603219986

CID:1424355

PubChem ID:10559552

Update Time:2025-06-10

2H-Azepin-2-one, hexahydro-7-phenyl- Chemical and Physical Properties

Names and Identifiers

- 2H-Azepin-2-one, hexahydro-7-phenyl-
- 7-Phenyl-hexahydroazepin-2-one
- 25882-81-9
- MBKSRTDXOKWUME-UHFFFAOYSA-N
- EN300-1153159
- SCHEMBL3237381
- G71045
- 7-phenylazepan-2-one
- Inchi： 1S/C12H15NO/c14-12-9-5-4-8-11(13-12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,13,14)
- InChI Key： MBKSRTDXOKWUME-UHFFFAOYSA-N
- SMILES： O=C1CCCCC(C2C=CC=CC=2)N1

Computed Properties

Exact Mass: 189.11545
Monoisotopic Mass: 189.115364102g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 14
Rotatable Bond Count: 1
Complexity: 197
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.8
Topological Polar Surface Area: 29.1?2

Experimental Properties

PSA: 29.1

2H-Azepin-2-one, hexahydro-7-phenyl- Pricemore >>

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