1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid

C16H19NO3 — CID 45349399

IUPAC1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)CC1CCCC1
InChIInChI=1S/C16H19NO3/c18-15(9-11-3-1-2-4-11)17-8-7-12-10-13(16(19)20)5-6-14(12)17/h5-6,10-11H,1-4,7-9H2,(H,19,20)
InChIKeyQYYKSLLFMYLBQE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid

1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 45349399) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID45349399
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)CC1CCCC1
InChIInChI=1S/C16H19NO3/c18-15(9-11-3-1-2-4-11)17-8-7-12-10-13(16(19)20)5-6-14(12)17/h5-6,10-11H,1-4,7-9H2,(H,19,20)
InChIKeyQYYKSLLFMYLBQE-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 83212360
2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997300
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 115448261
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid (CID 45349399) is 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)CC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is QYYKSLLFMYLBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(9-11-3-1-2-4-11)17-8-7-12-10-13(16(19)20)5-6-14(12)17/h5-6,10-11H,1-4,7-9H2,(H,19,20).
What are the key properties of 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid?
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 45349399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).