chempirical

5,7-Dimethylisatin

C10H9NO2CAS 39603-24-2175.19 g/mol

Open in Covalent MOL file
OONH
AmideKetoneLactam

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
242 °C
logP
1.44Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
39603-24-2
SMILES
Cc1cc(C)c2c(c1)C(=O)C(=O)N2
InChIKey
HFZSCCJTJGWTDZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)

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

Names and synonyms

5 names
  • 1H-Indole-2,3-dione, 5,7-dimethyl-
  • Isatin, 5,7-dimethyl-
  • 5,7-Dimethyl-1H-indole-2,3-dione
  • 5,7-Dimethylindoline-2,3-dione
  • 5,7-Dimethyl-2,3-dihydro-2,3-dioxoindole

Work with 5,7-Dimethylisatin

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

7-Methylisatin1127-59-958 % similar 5-Methylisatin608-05-954 % similar 5,7-Dichloroisatin6374-92-145 % similar Solvent blue 104116-75-640 % similar 7-Bromoisatin20780-74-940 % similar Dimesityl ketone5623-45-040 % similar 5-Iodoisatin20780-76-139 % similar 2′,4′,6′-Trimethylacetophenone1667-01-238 % similar

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

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carboxaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9 4-Methyl-1H-indole-2-carboxylic acid18474-57-2

Elsewhere

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