chempirical

Methyl indole-5-carboxylate

C10H9NO2CAS 1011-65-0175.19 g/mol

Open in Covalent MOL file
OONH
Ester

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
logP
1.95Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1011-65-0
SMILES
COC(=O)C1=CC2=C(C=C1)NC=C2
InChIKey
DRYBMFJLYYEOBZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Methyl 1H-indole-5-carboxylate

Work with Methyl indole-5-carboxylate

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-6-carboxylic acid methyl ester50820-65-077 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-364 % similar 1-(1H-Indol-5-yl)ethanone53330-94-259 % similar Methyl 2-naphthoate2459-25-857 % similar 1H-Indole-5-carboxylic acid1670-81-155 % similar Methyl 4-amino-6-indolecarboxylate121561-15-753 % similar Dimethyl terephthalate120-61-653 % similar Methyl 6-bromonaphthalene-2-carboxylate33626-98-153 % similar

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

Same formula

5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carboxaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9 4-Methyl-1H-indole-2-carboxylic acid18474-57-2 7-Methyl-1H-indole-2-carboxylic acid18474-60-7

Elsewhere

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