chempirical

2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione

C9H6N2O4CAS 41663-84-7206.16 g/mol

Open in Covalent MOL file
NON+OO−O
AmideLactamNitro

Properties

Molecular formula
C9H6N2O4
Molar mass
206.16 g/mol
Exact mass
206.0328 Da
Melting point
179–180 °C
logP
0.82Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
41663-84-7
SMILES
CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O
InChIKey
JBCHWGTZAAZJKG-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1H-Isoindole-1,3(2H)-dione, 2-methyl-5-nitro-
  • Phthalimide, N-methyl-4-nitro-
  • 4-Nitro-N-methylphthalimide
  • N-Methyl-4-nitrophthalimide
  • 2-Methyl-5-nitro-isoindole-1,3-dione
  • 2-Methyl-5-nitroisoindoline-1,3-dione
  • 2-Methyl-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
  • 2-Methyl-5-nitroisoindole-1,3-dione

Work with 2-Methyl-5-nitro-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

4-Nitrophthalic anhydride5466-84-253 % similar Dimethyl 4-nitrophthalate610-22-052 % similar 2,7-Dinitro-9-fluorenone31551-45-851 % similar 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-648 % similar 2-Methyl-4-nitrobenzoic acid1975-51-548 % similar 2-Methyl-5-nitrobenzoic acid1975-52-648 % similar 2′-Chloro-5′-nitroacetophenone23082-50-048 % similar 4-Nitro-1,2-benzenedicarboxamide13138-53-948 % similar

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

Same formula

Benzimidazole-5,6-dicarboxylic acid10351-75-4 7-Nitro-1H-indole-2-carboxylic acid6960-45-8

Elsewhere

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