6-methoxy-3-methyl-1H-indole-2-carboxylic acid

C11H11NO3 — CID 53418085

IUPAC6-methoxy-3-methyl-1H-indole-2-carboxylic acid
SMILESCOc1ccc2c(C)c(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-6-8-4-3-7(15-2)5-9(8)12-10(6)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyGAXRKJWZFDHHJC-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.18
Rot. Bonds2

About 6-methoxy-3-methyl-1H-indole-2-carboxylic acid

6-methoxy-3-methyl-1H-indole-2-carboxylic acid (PubChem CID 53418085) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-methyl-1H-indole-2-carboxylic acid
PubChem CID53418085
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name6-methoxy-3-methyl-1H-indole-2-carboxylic acid
SMILESCOc1ccc2c(C)c(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-6-8-4-3-7(15-2)5-9(8)12-10(6)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyGAXRKJWZFDHHJC-UHFFFAOYSA-N
XLogP2.18
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 6-methoxy-3-methyl-1H-indole-2-carboxylic acid (CID 53418085) is 6-methoxy-3-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-methoxy-3-methyl-1H-indole-2-carboxylic acid is COc1ccc2c(C)c(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-methoxy-3-methyl-1H-indole-2-carboxylic acid?
The InChIKey is GAXRKJWZFDHHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-8-4-3-7(15-2)5-9(8)12-10(6)11(13)14/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 6-methoxy-3-methyl-1H-indole-2-carboxylic acid?
6-methoxy-3-methyl-1H-indole-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 53418085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).