2-formyl-1-methylindole-4-carboxylic acid

C11H9NO3 — CID 82396967

IUPAC2-formyl-1-methylindole-4-carboxylic acid
SMILESCn1c(C=O)cc2c(C(=O)O)cccc21
InChIInChI=1S/C11H9NO3/c1-12-7(6-13)5-9-8(11(14)15)3-2-4-10(9)12/h2-6H,1H3,(H,14,15)
InChIKeyLHDFABIFBBLMPG-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.69
Rot. Bonds2

About 2-formyl-1-methylindole-4-carboxylic acid

2-formyl-1-methylindole-4-carboxylic acid (PubChem CID 82396967) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-formyl-1-methylindole-4-carboxylic acid.

Molecular Properties

Compound Name2-formyl-1-methylindole-4-carboxylic acid
PubChem CID82396967
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-formyl-1-methylindole-4-carboxylic acid
SMILESCn1c(C=O)cc2c(C(=O)O)cccc21
InChIInChI=1S/C11H9NO3/c1-12-7(6-13)5-9-8(11(14)15)3-2-4-10(9)12/h2-6H,1H3,(H,14,15)
InChIKeyLHDFABIFBBLMPG-UHFFFAOYSA-N
XLogP1.69
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-formyl-1-methylindole-4-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

Related Compounds

1-methyl-2-(piperidin-1-ylmethyl)indole-4-carboxylic acid
CID 117173514
2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117173539
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1-methyl-2-[(2R)-2-methylpyrrolidin-2-yl]indole-4-carboxylic acid
CID 137407467
5-amino-1,4-dimethylindole-2-carbaldehyde
CID 89147541
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
1-propan-2-yl-2-(sulfanylmethyl)indole-4-carboxylic acid
CID 117174139
4-amino-1-methylindole-2-carboxylic acid
CID 84771435
1-tert-butylindole-4-carboxylic acid
CID 68840218
1-aminoindole-4-carboxylic acid
CID 141215789

Frequently Asked Questions

What is the IUPAC name of 2-formyl-1-methylindole-4-carboxylic acid?
The IUPAC name of 2-formyl-1-methylindole-4-carboxylic acid (CID 82396967) is 2-formyl-1-methylindole-4-carboxylic acid.
What is the SMILES notation for 2-formyl-1-methylindole-4-carboxylic acid?
The canonical SMILES for 2-formyl-1-methylindole-4-carboxylic acid is Cn1c(C=O)cc2c(C(=O)O)cccc21.
What is the InChIKey of 2-formyl-1-methylindole-4-carboxylic acid?
The InChIKey is LHDFABIFBBLMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-12-7(6-13)5-9-8(11(14)15)3-2-4-10(9)12/h2-6H,1H3,(H,14,15).
What are the key properties of 2-formyl-1-methylindole-4-carboxylic acid?
2-formyl-1-methylindole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-1-methylindole-4-carboxylic acid is sourced from PubChem (CID 82396967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).