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

C11H11NO2 — CID 22708328

IUPAC2-ethyl-1H-indole-5-carboxylic acid
SMILESCCc1cc2cc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C11H11NO2/c1-2-9-6-8-5-7(11(13)14)3-4-10(8)12-9/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeyINTRDWMWKMEDRG-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.43
Rot. Bonds2

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

2-ethyl-1H-indole-5-carboxylic acid (PubChem CID 22708328) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-ethyl-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1H-indole-5-carboxylic acid
PubChem CID22708328
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-ethyl-1H-indole-5-carboxylic acid
SMILESCCc1cc2cc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C11H11NO2/c1-2-9-6-8-5-7(11(13)14)3-4-10(8)12-9/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeyINTRDWMWKMEDRG-UHFFFAOYSA-N
XLogP2.43
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-indole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1H-indole-5-carboxylic acid (CID 22708328) is 2-ethyl-1H-indole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1H-indole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1H-indole-5-carboxylic acid is CCc1cc2cc(C(=O)O)ccc2[nH]1.
What is the InChIKey of 2-ethyl-1H-indole-5-carboxylic acid?
The InChIKey is INTRDWMWKMEDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-9-6-8-5-7(11(13)14)3-4-10(8)12-9/h3-6,12H,2H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-1H-indole-5-carboxylic acid?
2-ethyl-1H-indole-5-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-indole-5-carboxylic acid is sourced from PubChem (CID 22708328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).