N-Benzoyl-4-perhydroazepinone

C₁₃H₁₅NO₂CAS 15923-40-7217.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₅NO₂
Molar mass: 217.27 g/mol
Exact mass: 217.1103 Da
logP: 1.88Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

15923-40-7

SMILES

C1CC(=O)CCN(C1)C(=O)C2=CC=CC=C2

InChIKey

CFZRTDHGRHTNHP-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO2/c15-12-7-4-9-14(10-8-12)13(16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2

Weigh it out

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

Work with N-Benzoyl-4-perhydroazepinone

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

Similar compounds

1-Benzoyl-4-piperidone24686-78-087 % similar Benzoylpiperidine776-75-069 % similar 1-Benzoylpiperazine13754-38-656 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-955 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-553 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-852 % similar Benzoylpiperazine hydrochloride56227-55-551 % similar N,N-Diethylbenzamide1696-17-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 4-(4-cyanophenyl)butanoate131379-33-4 7-Ethylamino-4,6-dimethylcoumarin26078-25-1 (-)-Securinine5610-40-2 8-Hydroxyjulolidine-9-carboxaldehyde63149-33-7 Benzyl 5,6-dihydropyridine-1(2H)-carboxylate66207-23-6 Ethyl α-cyano-α-ethylbenzeneacetate718-71-8 4-(4-Oxocyclohexyl)benzamide73204-06-5 1-Boc-indole75400-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook