1-ethylindole-2-carboxylic acid

C11H11NO2 — CID 14384884

IUPAC1-ethylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2ccccc21
InChIInChI=1S/C11H11NO2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyFPVIIOSXSGECQO-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.36
Rot. Bonds2

About 1-ethylindole-2-carboxylic acid

1-ethylindole-2-carboxylic acid (PubChem CID 14384884) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-ethylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethylindole-2-carboxylic acid
PubChem CID14384884
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-ethylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2ccccc21
InChIInChI=1S/C11H11NO2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyFPVIIOSXSGECQO-UHFFFAOYSA-N
XLogP2.36
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylindole-2-carboxylic acid?
The IUPAC name of 1-ethylindole-2-carboxylic acid (CID 14384884) is 1-ethylindole-2-carboxylic acid.
What is the SMILES notation for 1-ethylindole-2-carboxylic acid?
The canonical SMILES for 1-ethylindole-2-carboxylic acid is CCn1c(C(=O)O)cc2ccccc21.
What is the InChIKey of 1-ethylindole-2-carboxylic acid?
The InChIKey is FPVIIOSXSGECQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 1-ethylindole-2-carboxylic acid?
1-ethylindole-2-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylindole-2-carboxylic acid is sourced from PubChem (CID 14384884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).