1-Acetyl-3-indolinone

C10H9NO2CAS 16800-68-3175.19 g/mol

Open in Covalent MOL file
ONO
AmideKetone

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
logP
1.24Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
16800-68-3
SMILES
CC(=O)N1CC(=O)C2=CC=CC=C21
InChIKey
AUMJJQZNOVOCGY-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3

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Names and synonyms

1 names
  • 1-Acetyl-1,2-dihydro-3H-indol-3-one

Work with 1-Acetyl-3-indolinone

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-Acetylindoline16078-30-150 % similar Acetylisatin574-17-445 % similar N-Acetylphthalimide1971-49-944 % similar 1,3-Indandione606-23-544 % similar Butylacetanilide91-49-640 % similar Oxcarbazepine28721-07-539 % similar N,N-Diphenylacetamide519-87-939 % similar Phthalimidoacetone3416-57-738 % 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-carbaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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