3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

C₁₃H₁₁N₃O₅CAS 827026-45-9289.25 g/mol

Open in Covalent MOL file

Amide Lactam Nitro

Properties

Molecular formula: C₁₃H₁₁N₃O₅
Molar mass: 289.25 g/mol
Exact mass: 289.0699 Da
logP: 0.36Crippen estimate
Polar surface area: 109.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

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

827026-45-9

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

InChIKey

JKPJLYIGKKDZDT-UHFFFAOYSA-N

InChI

InChI=1S/C13H11N3O5/c17-11-5-4-10(12(18)14-11)15-6-8-7(13(15)19)2-1-3-9(8)16(20)21/h1-3,10H,4-6H2,(H,14,17,18)

Weigh it out

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Work with 3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-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

4-Hydroxy thalidomide5054-59-146 % similar 2-(2,6-Dioxopiperidin-3-yl)-4-fluoroisoindoline-1,3-dione835616-60-946 % similar 4-Nitroindan-1-one24623-25-445 % similar 7-Nitrooxindole25369-31-739 % similar Lenalidomide191732-72-638 % similar 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-336 % similar 1,5-Dinitro-9,10-anthracenedione82-35-936 % similar 2-(Bromomethyl)-3-nitrobenzoic acid methyl ester98475-07-135 % similar

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

Elsewhere

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