1-methylindole-3-carboxylic acid

C10H9NO2 — CID 854040

IUPAC1-methylindole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)
InChIKeyHVRCLXXJIQTXHC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.88
Rot. Bonds1

About 1-methylindole-3-carboxylic acid

1-methylindole-3-carboxylic acid (PubChem CID 854040) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-methylindole-3-carboxylic acid
PubChem CID854040
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-methylindole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)
InChIKeyHVRCLXXJIQTXHC-UHFFFAOYSA-N
XLogP1.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methylindole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylindole-3-carboxylic acid?
The IUPAC name of 1-methylindole-3-carboxylic acid (CID 854040) is 1-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-methylindole-3-carboxylic acid?
The canonical SMILES for 1-methylindole-3-carboxylic acid is Cn1cc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-methylindole-3-carboxylic acid?
The InChIKey is HVRCLXXJIQTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13).
What are the key properties of 1-methylindole-3-carboxylic acid?
1-methylindole-3-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-3-carboxylic acid is sourced from PubChem (CID 854040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).