1,2-dimethylindole-3-carboxylic acid

C11H11NO2 — CID 2761032

IUPAC1,2-dimethylindole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2ccccc2n1C
InChIInChI=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)
InChIKeyXYRXQPDMBJNYIU-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.18
Rot. Bonds1

About 1,2-dimethylindole-3-carboxylic acid

1,2-dimethylindole-3-carboxylic acid (PubChem CID 2761032) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,2-dimethylindole-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethylindole-3-carboxylic acid
PubChem CID2761032
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1,2-dimethylindole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2ccccc2n1C
InChIInChI=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)
InChIKeyXYRXQPDMBJNYIU-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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylindole-3-carboxylic acid?
The IUPAC name of 1,2-dimethylindole-3-carboxylic acid (CID 2761032) is 1,2-dimethylindole-3-carboxylic acid.
What is the SMILES notation for 1,2-dimethylindole-3-carboxylic acid?
The canonical SMILES for 1,2-dimethylindole-3-carboxylic acid is Cc1c(C(=O)O)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethylindole-3-carboxylic acid?
The InChIKey is XYRXQPDMBJNYIU-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 1,2-dimethylindole-3-carboxylic acid?
1,2-dimethylindole-3-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 1,2-dimethylindole-3-carboxylic acid is sourced from PubChem (CID 2761032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).