1,5-dimethylindole-7-carboxylic acid

C11H11NO2 — CID 83946044

IUPAC1,5-dimethylindole-7-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(ccn2C)c1
InChIInChI=1S/C11H11NO2/c1-7-5-8-3-4-12(2)10(8)9(6-7)11(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyZGGURRHJRFDXCZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.18
Rot. Bonds1

About 1,5-dimethylindole-7-carboxylic acid

1,5-dimethylindole-7-carboxylic acid (PubChem CID 83946044) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,5-dimethylindole-7-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethylindole-7-carboxylic acid
PubChem CID83946044
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1,5-dimethylindole-7-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(ccn2C)c1
InChIInChI=1S/C11H11NO2/c1-7-5-8-3-4-12(2)10(8)9(6-7)11(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyZGGURRHJRFDXCZ-UHFFFAOYSA-N
XLogP2.18
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-methylindole-7-carboxylic acid
CID 83483770
1-ethyl-5-methylindole-7-carboxylic acid
CID 83946023
7-tert-butyl-1-methylindole-5-carboxylic acid
CID 83945585
5-ethyl-1-propylindole-7-carboxylic acid
CID 83946152
6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 169264396
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
2-methylbenzene-1,3-dicarboxylic acid;1-methylindole
CID 158400940
8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid
CID 19353655
1,4-dimethyl-5-(1-methylindol-5-yl)pyrrole-3-carboxylic acid
CID 69232965
1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
CID 170914839
5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid
CID 158131529
ethyl 1,7-dimethylindole-5-carboxylate
CID 137376085

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylindole-7-carboxylic acid?
The IUPAC name of 1,5-dimethylindole-7-carboxylic acid (CID 83946044) is 1,5-dimethylindole-7-carboxylic acid.
What is the SMILES notation for 1,5-dimethylindole-7-carboxylic acid?
The canonical SMILES for 1,5-dimethylindole-7-carboxylic acid is Cc1cc(C(=O)O)c2c(ccn2C)c1.
What is the InChIKey of 1,5-dimethylindole-7-carboxylic acid?
The InChIKey is ZGGURRHJRFDXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-5-8-3-4-12(2)10(8)9(6-7)11(13)14/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1,5-dimethylindole-7-carboxylic acid?
1,5-dimethylindole-7-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylindole-7-carboxylic acid is sourced from PubChem (CID 83946044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).