chempirical

1-Acetyl-5-nitroindoline

C10H10N2O3CAS 33632-27-8206.20 g/mol

Open in Covalent MOL file
ONN+OO−
AmideNitro

Properties

Molecular formula
C10H10N2O3
Molar mass
206.20 g/mol
Exact mass
206.0691 Da
Melting point
173.5–175.5 °C
logP
1.50Crippen estimate
Polar surface area
63.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Not classified as hazardous under GHS. NITE-CMC, via PubChem.

Identifiers

CAS number
33632-27-8
SMILES
CC(=O)N1CCc2cc([N+](=O)[O-])ccc21
InChIKey
OJKKTNFCWMBYMT-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3

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

Names and synonyms

9 names
  • Ethanone, 1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-
  • Indoline, 1-acetyl-5-nitro-
  • 1H-Indole, 1-acetyl-2,3-dihydro-5-nitro-
  • 1-(2,3-Dihydro-5-nitro-1H-indol-1-yl)ethanone
  • N-Acetyl-5-nitroindoline
  • NSC 87626
  • 1-(5-Nitroindolin-1-yl)ethanone
  • 1-(5-Nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one
  • 1-(5-Nitro-2,3-dihydroindol-1-yl)ethanone

Work with 1-Acetyl-5-nitroindoline

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-Acetyl-5-bromoindoline22190-38-159 % similar 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-859 % similar 1-Acetylindoline16078-30-155 % similar 1-Acetyl-5-bromo-7-nitroindoline62368-07-453 % similar 1-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline39275-18-848 % similar 5-Nitro-2-indanone116530-60-047 % similar 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-045 % similar 2,7-Dinitrofluorene5405-53-844 % similar

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

Same formula

6,7-Dimethoxy-3H-quinazolin-4-one13794-72-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook