chempirical

Isatin β-oxime

C8H6N2O2CAS 607-28-3162.15 g/mol

Open in Covalent MOL file
ONHNHO
AmideLactamOxime

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
Melting point
217 °C
logP
0.82Crippen estimate
Polar surface area
61.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
607-28-3
SMILES
O=C1Nc2ccccc2C1=NO
InChIKey
LNMAXZZQNSPQSR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8-7(10-12)5-3-1-2-4-6(5)9-8/h1-4,12H,(H,9,10,11)

Weigh it out

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

Names and synonyms

5 names
  • 1H-Indole-2,3-dione, 3-oxime
  • Indole-2,3-dione, 3-oxime
  • Isatin, 3-oxime
  • NSC 9355
  • 3-(Hydroxyimino)indolin-2-one

Work with Isatin β-oxime

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

Isatin91-56-556 % similar Indigo blue482-89-344 % similar 6-Bromoindirubin-3′-oxime667463-62-941 % similar Diphenylglyoxime23873-81-639 % similar 3-(3,4-Dichlorobenzylidene)indolin-2-one114727-43-438 % similar Indirubin479-41-438 % similar Fluorenone oxime2157-52-037 % similar Oxanilide620-81-535 % similar

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

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo[1,2-A]pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Benzimidazole-5-carboxylic acid15788-16-6

Elsewhere

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