chempirical

7-Methylindole

C9H9NCAS 933-67-5131.18 g/mol

Open in Covalent MOL file
HN

Properties

Molecular formula
C9H9N
Molar mass
131.18 g/mol
Exact mass
131.0735 Da
Melting point
85 °C
Boiling point
266 °C
logP
2.48Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
933-67-5
SMILES
Cc1cccc2cc[nH]c12
InChIKey
KGWPHCDTOLQQEP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole, 7-methyl-
  • Indole, 7-methyl-
  • 7-Methyl-1H-indole
  • NSC 618

Work with 7-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

7-Chloroindole53924-05-354 % similar 7-Fluoro-1H-indole387-44-052 % similar 7-Methoxyindole3189-22-852 % similar 1H-Indole-7-methanol1074-87-947 % similar Indole-7-carboxaldehyde1074-88-047 % similar 1,8-Dimethylnaphthalene569-41-546 % similar Methylnaphthalene1321-94-443 % similar 1H-Indole-7-carboxylic acid1670-83-343 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia