2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione

C₁₄H₁₃NO₃CAS 104618-32-8243.26 g/mol

Open in Covalent MOL file

Amide Ketone Lactam

Properties

Molecular formula: C₁₄H₁₃NO₃
Molar mass: 243.26 g/mol
Exact mass: 243.0895 Da
logP: 1.79Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

104618-32-8

SMILES

O=C1CCC(N2C(=O)c3ccccc3C2=O)CC1

InChIKey

PWUJQPNLEZZILN-UHFFFAOYSA-N

InChI

InChI=1S/C14H13NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9H,5-8H2

Weigh it out

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Names and synonyms

5 names

1H-Isoindole-1,3(2H)-dione, 2-(4-oxocyclohexyl)-
2-(4-Oxocyclohexyl)isoindoline-1,3-dione
2-(4-Oxocyclohexyl)isoindole-1,3-dione
2-(4-Oxocyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione
4-Phthalimidocyclohexanone

Work with 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione

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

N-Isopropylphthalimide304-17-650 % similar 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic acid2301-52-248 % similar 4-Phenylcyclohexanone4894-75-146 % similar Thalidomide50-35-145 % similar N-Phthaloyl-L-glutamine3343-29-144 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-543 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-643 % similar N-Phthaloyl-(S)-phenylalanine5123-55-743 % similar

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

Elsewhere

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