chempirical

Indole-3-acetone

C11H11NOCAS 1201-26-9173.22 g/mol

Open in Covalent MOL file
ONH
Ketone

Properties

Molecular formula
C11H11NO
Molar mass
173.22 g/mol
Exact mass
173.0841 Da
Melting point
116 °C
logP
2.30Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1201-26-9
SMILES
CC(=O)Cc1c[nH]c2ccccc12
InChIKey
LDVHYJKRIKBISQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Propanone, 1-(1H-indol-3-yl)-
  • 2-Propanone, 1-indol-3-yl-
  • 2-Propanone, indol-3-yl-
  • 1-(1H-Indol-3-yl)-2-propanone
  • Indol-3-yl-2-propanone
  • 3-(2-Oxopropyl)indole
  • 3-Indolylacetone
  • 3-Acetonylindole
  • (1H-Indol-3-yl)acetone
  • NSC 100751
  • 1-(1H-Indol-3-yl)propan-2-one

Work with Indole-3-acetone

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

Indole-3-acetic acid87-51-462 % similar β-Indolylacetic acid methyl ester1912-33-062 % similar Ethyl 1H-indole-3-acetate778-82-559 % similar 3-Indolylacetic acid potassium salt2338-19-457 % similar Indole-3-pyruvic acid392-12-157 % similar 3,3'-Diindolylmethane1968-05-455 % similar Indole-3-acetamide879-37-854 % similar 1H-Indole-3-propanoic acid830-96-653 % similar

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

Same formula

2-(Quinolin-2-yl)ethanol1011-50-3 6-Methoxy-2-methylquinoline1078-28-0 6-Methoxy-4-methylquinoline41037-26-7 Pyroquilon57369-32-1

Elsewhere

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