chempirical

Skatole

C9H9NCAS 83-34-1131.18 g/mol

Open in Covalent MOL file
NH

Properties

Molecular formula
C9H9N
Molar mass
131.18 g/mol
Exact mass
131.0735 Da
Melting point
95 °C
Boiling point
265–266 °C (at 755 Torr)
logP
2.48Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
83-34-1
SMILES
Cc1c[nH]c2ccccc12
InChIKey
ZFRKQXVRDFCRJG-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1H-Indole, 3-methyl-
  • Indole, 3-methyl-
  • Indole, 3-methyl-(skatole)
  • 3-Methyl-1H-indole
  • 3-Methylindole
  • Scatole
  • Skatol
  • β-Methylindole
  • NSC 122024

Work with Skatole

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

5-Fluoro-3-methyl-1H-indole392-13-252 % similar 3,3'-Diindolylmethane1968-05-450 % similar Indoxyl480-93-350 % similar 3-Methyl-1H-pyrrolo[2,3-B]pyridine5654-93-348 % similar 1,4-Dimethylnaphthalene571-58-446 % similar 3-Acetylindole703-80-045 % similar Gramine87-52-545 % similar Indole-3-carbinol700-06-145 % similar

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

Same formula

2,5-Dimethylbenzonitrile13730-09-1 4-Methylindole16096-32-5 (1-Isocyanoethyl)benzene17329-20-3 2-Phenylpropionitrile1823-91-2 2,4-Dimethylbenzonitrile21789-36-6 2-Methylphenylacetonitrile22364-68-7 3,5-Dimethylbenzonitrile22445-42-7 3,4-Dimethylbenzonitrile22884-95-3

Elsewhere

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