chempirical

3-(Phenylamino)-2-cyclohexen-1-one

C12H13NOCAS 24706-50-1187.24 g/mol

Open in Covalent MOL file
OHN
AlkeneKetoneSecondary amine

Properties

Molecular formula
C12H13NO
Molar mass
187.24 g/mol
Exact mass
187.0997 Da
Melting point
173–174 °C
logP
2.74Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
24706-50-1
SMILES
O=C1C=C(Nc2ccccc2)CCC1
InChIKey
IVONJXTZXFTWNA-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-3,5-6,9,13H,4,7-8H2

Weigh it out

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

Names and synonyms

5 names
  • 2-Cyclohexen-1-one, 3-(phenylamino)-
  • 2-Cyclohexen-1-one, 3-anilino-
  • 3-Anilino-2-cyclohexen-1-one
  • 3-Phenylamino-2-cyclohexenone
  • NSC 166087

Work with 3-(Phenylamino)-2-cyclohexen-1-one

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

Oxanilide620-81-542 % similar Ethyl 3-(phenylamino)-2-butenoate6287-35-040 % similar N-Phenyl-isobutyloylacetamide124401-38-337 % similar Ethyl oxanilate1457-85-837 % similar 3-Methyl-2-cyclohexen-1-one1193-18-636 % similar 3-Amino-2-cyclohexen-1-one5220-49-536 % similar 2,6-Dibenzylidenecyclohexanone897-78-935 % similar N-Phenylglycine ethyl ester2216-92-435 % similar

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

Same formula

6-Ethoxy-2-methylquinoline6628-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook