chempirical

1,2-Dimethyl-1H-indole-3-carboxylic acid

C11H11NO2CAS 20357-15-7189.21 g/mol

Open in Covalent MOL file
OHON
Carboxylic acid

Properties

Molecular formula
C11H11NO2
Molar mass
189.21 g/mol
Exact mass
189.0790 Da
Melting point
185 °C
logP
2.18Crippen estimate
Polar surface area
42.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
20357-15-7
SMILES
Cc1c(C(=O)O)c2ccccc2n1C
InChIKey
XYRXQPDMBJNYIU-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2/c1-7-10(11(13)14)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3,(H,13,14)

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole-3-carboxylic acid, 1,2-dimethyl-
  • Indole-3-carboxylic acid, 1,2-dimethyl-
  • 1,2-Dimethylindole-3-carboxylic acid

Work with 1,2-Dimethyl-1H-indole-3-carboxylic acid

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

1-Methyl-1H-indole-2-carboxylic acid16136-58-646 % similar N-Methylcarbazole1484-12-445 % similar 9-Anthracenecarboxylic acid723-62-645 % similar 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-B]indol-1-one122852-75-943 % similar 2,6-Dimethylbenzoic acid632-46-243 % similar N-Methylacridone719-54-043 % similar 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-142 % similar 1,4-Naphthalenedicarboxylic acid605-70-942 % similar

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

Same formula

β-Indolylacetic acid methyl ester1912-33-0 2-Methyl-1H-indole-3-acetic acid1912-43-2 5-Methyl-3-indoleacetic acid1912-47-6 N-Isopropylphthalimide304-17-6 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile35202-54-1 4-(2-Oxo-1-pyrrolidinyl)benzaldehyde36151-45-8 Ethyl 1H-indole-2-carboxylate3770-50-1 Ethyl α-cyanophenylacetate4553-07-5

Elsewhere

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