chempirical

1-Methylisatin

C9H7NO2CAS 2058-74-4161.16 g/mol

Open in Covalent MOL file
NOO
AmideKetoneLactam

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
130–133 °C
logP
0.85Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
2058-74-4
SMILES
CN1C(=O)C(=O)c2ccccc21
InChIKey
VCYBVWFTGAZHGH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1H-Indole-2,3-dione, 1-methyl-
  • Indole-2,3-dione, 1-methyl-
  • Isatin, 1-methyl-
  • 1-Methyl-1H-indole-2,3-dione
  • N-Methylisatin
  • OL 57
  • 1-Methyl-2,3-indolinedione
  • 1-Methylindole-2,3-dione
  • N-Methylindoline-2,3-dione
  • NSC 42449
  • N-Methyl-indole-2,3-dione
  • 1-Methyl-2,3-dioxoindole
  • 1-Methyl-2,3-dihydro-1H-indole-2,3-dione

Work with 1-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

Acetylisatin574-17-457 % similar 1-Phenylisatin723-89-756 % similar 1-Methyl-1,3-dihydroindol-2-one61-70-141 % similar 2-(Dimethylamino)benzoic acid610-16-241 % similar N-Methylphthalimide550-44-739 % similar Phenanthrenequinone84-11-739 % similar Methyl N,N-dimethylanthranilate10072-05-638 % similar Centralite ii611-92-738 % 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 7-Methylisatin1127-59-9 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

Elsewhere

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