1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid

C17H23NO2 — CID 80566401

IUPAC1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCC1CCCCC1N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C17H23NO2/c1-2-12-7-3-5-9-15(12)18-11-14(17(19)20)13-8-4-6-10-16(13)18/h4,6,8,10,12,14-15H,2-3,5,7,9,11H2,1H3,(H,19,20)
InChIKeyOIZYQNOOCFKKTC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid

1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80566401) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80566401
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCC1CCCCC1N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C17H23NO2/c1-2-12-7-3-5-9-15(12)18-11-14(17(19)20)13-8-4-6-10-16(13)18/h4,6,8,10,12,14-15H,2-3,5,7,9,11H2,1H3,(H,19,20)
InChIKeyOIZYQNOOCFKKTC-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid (CID 80566401) is 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid is CCC1CCCCC1N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is OIZYQNOOCFKKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-12-7-3-5-9-15(12)18-11-14(17(19)20)13-8-4-6-10-16(13)18/h4,6,8,10,12,14-15H,2-3,5,7,9,11H2,1H3,(H,19,20).
What are the key properties of 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80566401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).