Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one

CAS Registry Number®

71556-70-2

CAS Name

Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one

Molecular Formula

C13H19NO2

Molecular Mass

221.30

Cite this Page

Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71556-70-2 (retrieved 2024-11-21) (CAS RN: 71556-70-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    109-110 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H19NO2/c1-14-8-3-2-7-12(13(14)16)10-5-4-6-11(15)9-10/h9,12H,2-8H2,1H3

InChIKey

InChIKey=XJZQHHIPUDRJGJ-UHFFFAOYSA-N

SMILES

O=C1C(C2=CC(=O)CCC2)CCCCN1C

Canonical SMILES

O=C1C=C(CCC1)C2C(=O)N(C)CCCC2

Other Names for this Substance

  • 2H-Azepin-2-one, hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-
  • Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one
  • 1-Methyl-3-(3-oxocyclohex-1-en-1-yl)azepan-2-one
  • 1-Methyl-3-(3-oxo-1-cyclohexen-1-yl)-2-azepanone
  • 1-Methyl-3-(3-oxocyclohexen-1-yl)azepan-2-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration