chempirical

7-Methylisatin

C9H7NO2CAS 1127-59-9161.16 g/mol

Open in Covalent MOL file
HNOO
AmideKetoneLactam

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
212 °C
logP
1.13Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
1127-59-9
SMILES
Cc1cccc2c1NC(=O)C2=O
InChIKey
UEHZKEABUOAZSH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-2,3-dione, 7-methyl-
  • Indole-2,3-dione, 7-methyl-
  • Isatin, 7-methyl-
  • 7-Methyl-1H-indole-2,3-dione
  • 7-Methyl-2,3-indolinedione
  • NSC 3161
  • 7-Methyl-2,3-dihydro-2,3-dioxoindole

Work with 7-Methylisatin

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-Bromoisatin20780-74-962 % similar 5,7-Dimethylisatin39603-24-258 % similar Isatin91-56-552 % similar 5-Methylisatin608-05-944 % similar 5,7-Dichloroisatin6374-92-143 % similar 4,7-Dichloroisatin18711-13-242 % similar 5-Chloroisatin17630-76-140 % similar 5-Iodoisatin20780-76-140 % similar

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

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 Methyl 4-cyanobenzoate1129-35-7 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxy-1H-quinolin-2-one15450-76-7 3-Aminocoumarin1635-31-0 1H-Indole-5-carboxylic acid1670-81-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook