4-ethyl-5-methyl-1H-indole-2-carboxylic acid

C12H13NO2 — CID 21396319

IUPAC4-ethyl-5-methyl-1H-indole-2-carboxylic acid
SMILESCCc1c(C)ccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C12H13NO2/c1-3-8-7(2)4-5-10-9(8)6-11(13-10)12(14)15/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyGYRFBSAMZLTZGJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.74
Rot. Bonds2

About 4-ethyl-5-methyl-1H-indole-2-carboxylic acid

4-ethyl-5-methyl-1H-indole-2-carboxylic acid (PubChem CID 21396319) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-methyl-1H-indole-2-carboxylic acid
PubChem CID21396319
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-ethyl-5-methyl-1H-indole-2-carboxylic acid
SMILESCCc1c(C)ccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C12H13NO2/c1-3-8-7(2)4-5-10-9(8)6-11(13-10)12(14)15/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyGYRFBSAMZLTZGJ-UHFFFAOYSA-N
XLogP2.74
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 4-ethyl-5-methyl-1H-indole-2-carboxylic acid (CID 21396319) is 4-ethyl-5-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-ethyl-5-methyl-1H-indole-2-carboxylic acid is CCc1c(C)ccc2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4-ethyl-5-methyl-1H-indole-2-carboxylic acid?
The InChIKey is GYRFBSAMZLTZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-7(2)4-5-10-9(8)6-11(13-10)12(14)15/h4-6,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-5-methyl-1H-indole-2-carboxylic acid?
4-ethyl-5-methyl-1H-indole-2-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 21396319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).