chempirical

Acetylisatin

C10H7NO3CAS 574-17-4189.17 g/mol

Open in Covalent MOL file
ONOO
AmideKetoneLactam

Properties

Molecular formula
C10H7NO3
Molar mass
189.17 g/mol
Exact mass
189.0426 Da
Melting point
141 °C
logP
0.76Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
574-17-4
SMILES
CC(=O)N1C(=O)C(=O)c2ccccc21
InChIKey
LPGDEHBASRKTDG-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3

Weigh it out

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

Names and synonyms

12 names
  • 1H-Indole-2,3-dione, 1-acetyl-
  • Indole-2,3-dione, 1-acetyl-
  • Isatin, 1-acetyl-
  • 1-Acetyl-1H-indole-2,3-dione
  • 1-Acetylisatin
  • N-Acetylisatin
  • 1-Acetyl-2,3-dioxoindole
  • 1-Acetylindole-2,3-dione
  • NSC 2761
  • N-Acetyl-indole-2,3-dione
  • 1-Acetylindoline-2,3-dione
  • 1-Acetyl-2,3-dihydro-1H-indole-2,3-dione

Work with Acetylisatin

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

1-Methylisatin2058-74-457 % similar 1-Phenylisatin723-89-751 % similar 1-Allylisatin830-74-045 % similar 1-Acetyl-3-indolinone16800-68-345 % similar 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione79183-19-040 % similar 1-Acetylindoline16078-30-139 % similar N,N-Diphenylacetamide519-87-939 % similar N-Methylacetanilide579-10-237 % similar

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

Same formula

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-7 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-2 5-Phenylisoxazole-3-carboxylic acid14441-90-8 3-Phenyl-5-isoxazolecarboxylic acid14442-12-7 Indole-3-glyoxylic acid1477-49-2 8-Hydroxyquinoline-2-carboxylic acid1571-30-8 2-Hydroxycinchoninic acid15733-89-8 N-Acetylphthalimide1971-49-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook