3-acetyl-1,7-diethylindole-5-carboxylic acid

C15H17NO3 — CID 83947871

IUPAC3-acetyl-1,7-diethylindole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(C(C)=O)cn(CC)c12
InChIInChI=1S/C15H17NO3/c1-4-10-6-11(15(18)19)7-12-13(9(3)17)8-16(5-2)14(10)12/h6-8H,4-5H2,1-3H3,(H,18,19)
InChIKeyQGFVIWZCYAMXKV-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.12
Rot. Bonds4

About 3-acetyl-1,7-diethylindole-5-carboxylic acid

3-acetyl-1,7-diethylindole-5-carboxylic acid (PubChem CID 83947871) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-acetyl-1,7-diethylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-acetyl-1,7-diethylindole-5-carboxylic acid
PubChem CID83947871
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-acetyl-1,7-diethylindole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(C(C)=O)cn(CC)c12
InChIInChI=1S/C15H17NO3/c1-4-10-6-11(15(18)19)7-12-13(9(3)17)8-16(5-2)14(10)12/h6-8H,4-5H2,1-3H3,(H,18,19)
InChIKeyQGFVIWZCYAMXKV-UHFFFAOYSA-N
XLogP3.12
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-1,7-diethylindole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-7-methyl-1-propylindole-5-carboxylic acid
CID 83947911
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
3,7-diethyl-1-(3-hydroxypropyl)indole-5-carboxylic acid
CID 83945897
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid
CID 83945892
3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
CID 83945854
7-tert-butyl-1-ethyl-3-methylindole-5-carboxylic acid
CID 83945566
2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
1,3-diethyl-5-methylindole-7-carboxylic acid
CID 83946021
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
3-(2-aminoethyl)-7-tert-butyl-1-ethylindole-5-carboxylic acid
CID 83945572

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,7-diethylindole-5-carboxylic acid?
The IUPAC name of 3-acetyl-1,7-diethylindole-5-carboxylic acid (CID 83947871) is 3-acetyl-1,7-diethylindole-5-carboxylic acid.
What is the SMILES notation for 3-acetyl-1,7-diethylindole-5-carboxylic acid?
The canonical SMILES for 3-acetyl-1,7-diethylindole-5-carboxylic acid is CCc1cc(C(=O)O)cc2c(C(C)=O)cn(CC)c12.
What is the InChIKey of 3-acetyl-1,7-diethylindole-5-carboxylic acid?
The InChIKey is QGFVIWZCYAMXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-10-6-11(15(18)19)7-12-13(9(3)17)8-16(5-2)14(10)12/h6-8H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 3-acetyl-1,7-diethylindole-5-carboxylic acid?
3-acetyl-1,7-diethylindole-5-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,7-diethylindole-5-carboxylic acid is sourced from PubChem (CID 83947871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).