chempirical

2-Methylindole-3-carboxaldehyde

C10H9NOCAS 5416-80-8159.19 g/mol

Open in Covalent MOL file
NHO
Aldehyde

Properties

Molecular formula
C10H9NO
Molar mass
159.19 g/mol
Exact mass
159.0684 Da
Melting point
196 °C
logP
2.29Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
5416-80-8
SMILES
Cc1[nH]c2ccccc2c1C=O
InChIKey
CYZIVXOEJNAIBS-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-3-carboxaldehyde, 2-methyl-
  • Indole-3-carboxaldehyde, 2-methyl-
  • 2-Methyl-1H-indole-3-carboxaldehyde
  • 3-Formyl-2-methylindole
  • 2-Methyl-3-formylindole
  • NSC 11895
  • 2-Methyl-1H-indole-3-carbaldehyde

Work with 2-Methylindole-3-carboxaldehyde

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

2,3-Dimethylindole91-55-453 % similar 9,10-Anthracenedicarboxaldehyde7044-91-948 % similar 2-Methyltryptamine2731-06-845 % similar 2-Methyl-1H-indole-3-acetic acid1912-43-243 % similar Carbazole86-74-841 % similar Anthracene-9-carbaldehyde642-31-941 % similar 4-Hydroxy-2-methylquinoline607-67-039 % similar 2,6-Dimethylbenzaldehyde1123-56-439 % similar

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

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 1-Methylindole-3-carboxaldehyde19012-03-4 Indole-3-acetaldehyde2591-98-2 1-Amino-2-naphthol2834-92-6 4-Methoxycinnamonitrile28446-68-6 α-Acetylbenzeneacetonitrile4468-48-8

Elsewhere

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