chempirical

5-Methylindole

C9H9NCAS 614-96-0131.18 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
60 °C
Boiling point
267 °C
logP
2.48Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
614-96-0
SMILES
Cc1ccc2[nH]ccc2c1
InChIKey
YPKBCLZFIYBSHK-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1H-Indole, 5-methyl-
  • Indole, 5-methyl-
  • 5-Methyl-1H-indole
  • 5-Methylindol
  • NSC 522562

Work with 5-Methylindole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloroindole17422-32-154 % similar 5-Hydroxyindole1953-54-454 % similar 5-Fluoroindole399-52-054 % similar 5-Aminoindole5192-03-054 % similar 2,6-Dimethylnaphthalene581-42-052 % similar 2,5-Dimethylindole1196-79-852 % similar 5-Ethoxy-1H-indole10501-17-448 % similar 1-(1H-Indol-5-yl)ethanone53330-94-248 % similar

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

Same formula

2,5-Dimethylbenzonitrile13730-09-1 4-Methylindole16096-32-5 2-Phenylpropionitrile1823-91-2 2,4-Dimethylbenzonitrile21789-36-6 2-Methylphenylacetonitrile22364-68-7 3,5-Dimethylbenzonitrile22445-42-7 3,4-Dimethylbenzonitrile22884-95-3 4-Ethylbenzonitrile25309-65-3

Elsewhere

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