5-formyl-1-methylindole-2-carboxylic acid

C11H9NO3 — CID 82396968

IUPAC5-formyl-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(C=O)ccc21
InChIInChI=1S/C11H9NO3/c1-12-9-3-2-7(6-13)4-8(9)5-10(12)11(14)15/h2-6H,1H3,(H,14,15)
InChIKeyXZRKEULAMJDLSQ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.69
Rot. Bonds2

About 5-formyl-1-methylindole-2-carboxylic acid

5-formyl-1-methylindole-2-carboxylic acid (PubChem CID 82396968) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-formyl-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name5-formyl-1-methylindole-2-carboxylic acid
PubChem CID82396968
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name5-formyl-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(C=O)ccc21
InChIInChI=1S/C11H9NO3/c1-12-9-3-2-7(6-13)4-8(9)5-10(12)11(14)15/h2-6H,1H3,(H,14,15)
InChIKeyXZRKEULAMJDLSQ-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 5-formyl-1-methylindole-2-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

2-(2-hydroxyacetyl)-1-methylindole-5-carbaldehyde
CID 82614269
5-(3,3-dimethylbutanoylamino)-1-methylindole-2-carboxylic acid
CID 142226312
5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 105458405
1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)indole-2-carboxylic acid
CID 175931869
6-carbamoyl-1-methylindole-2-carboxylic acid
CID 66656113
1-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indole-2-carboxylic acid
CID 83972205
methyl 5-formylindole-1-carboxylate
CID 59927720
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
1,6-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 175584211
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 169005444
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490

Frequently Asked Questions

What is the IUPAC name of 5-formyl-1-methylindole-2-carboxylic acid?
The IUPAC name of 5-formyl-1-methylindole-2-carboxylic acid (CID 82396968) is 5-formyl-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 5-formyl-1-methylindole-2-carboxylic acid?
The canonical SMILES for 5-formyl-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)cc2cc(C=O)ccc21.
What is the InChIKey of 5-formyl-1-methylindole-2-carboxylic acid?
The InChIKey is XZRKEULAMJDLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-12-9-3-2-7(6-13)4-8(9)5-10(12)11(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 5-formyl-1-methylindole-2-carboxylic acid?
5-formyl-1-methylindole-2-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 5-formyl-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 82396968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).