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

C11H11NO2 — CID 70338709

IUPAC3-ethyl-1H-indole-5-carboxylic acid
SMILESCCc1c[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C11H11NO2/c1-2-7-6-12-10-4-3-8(11(13)14)5-9(7)10/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeySIGMGNLVQKNIKT-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.43
Rot. Bonds2

About 3-ethyl-1H-indole-5-carboxylic acid

3-ethyl-1H-indole-5-carboxylic acid (PubChem CID 70338709) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-ethyl-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1H-indole-5-carboxylic acid
PubChem CID70338709
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-ethyl-1H-indole-5-carboxylic acid
SMILESCCc1c[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C11H11NO2/c1-2-7-6-12-10-4-3-8(11(13)14)5-9(7)10/h3-6,12H,2H2,1H3,(H,13,14)
InChIKeySIGMGNLVQKNIKT-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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Related Compounds

3-(fluoromethyl)-1H-indole-5-carboxylic acid
CID 84664507
3-(methoxymethyl)-1H-indole-5-carboxylic acid
CID 117175321
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
3-iodo-1H-indole-5-carboxylic acid
CID 50990518
3-(3-cyanopropyl)-1H-indole-5-carboxylic acid
CID 71661534
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258
3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 20806603
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-indole-5-carboxylic acid?
The IUPAC name of 3-ethyl-1H-indole-5-carboxylic acid (CID 70338709) is 3-ethyl-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-ethyl-1H-indole-5-carboxylic acid is CCc1c[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-ethyl-1H-indole-5-carboxylic acid?
The InChIKey is SIGMGNLVQKNIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-7-6-12-10-4-3-8(11(13)14)5-9(7)10/h3-6,12H,2H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-1H-indole-5-carboxylic acid?
3-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 3-ethyl-1H-indole-5-carboxylic acid is sourced from PubChem (CID 70338709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).