chempirical

Acetylcaprolactam

C8H13NO2CAS 1888-91-1155.20 g/mol

Open in Covalent MOL file
ONO
Amide

Properties

Molecular formula
C8H13NO2
Molar mass
155.20 g/mol
Exact mass
155.0946 Da
Density
1.0998 g/mL (at 20 °C)
Boiling point
133–134 °C (at 16 Torr)
logP
0.94Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1888-91-1
SMILES
CC(=O)N1CCCCCC1=O
InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • 2H-Azepin-2-one, 1-acetylhexahydro-
  • 1-Acetylhexahydro-2H-azepin-2-one
  • N-Acetylcaprolactam
  • N-Acetyl-ε-caprolactam
  • N-Acetyl-6-caprolactam
  • 1-Acetylhexahydroazepin-2-one
  • 1-Acetylperhydro-2-azepinone
  • NSC 522408
  • Activator O
  • Aktivator O
  • 1-Acetylazepan-2-one

Work with Acetylcaprolactam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

4-Acetamidocyclohexanone27514-08-5 Scopine498-45-3 (±)-6β-Hydroxytropinone5932-53-6 Arecoline63-75-2 Bemegride64-65-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook