3-cyclopentyl-2,3-dihydroisoindol-1-one

C13H15NO — CID 84733844

IUPAC3-cyclopentyl-2,3-dihydroisoindol-1-one
SMILESO=C1NC(C2CCCC2)c2ccccc21
InChIInChI=1S/C13H15NO/c15-13-11-8-4-3-7-10(11)12(14-13)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,14,15)
InChIKeyZACDUXJGJGMLLO-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.66
Rot. Bonds1

About 3-cyclopentyl-2,3-dihydroisoindol-1-one

3-cyclopentyl-2,3-dihydroisoindol-1-one (PubChem CID 84733844) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-cyclopentyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-cyclopentyl-2,3-dihydroisoindol-1-one
PubChem CID84733844
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-cyclopentyl-2,3-dihydroisoindol-1-one
SMILESO=C1NC(C2CCCC2)c2ccccc21
InChIInChI=1S/C13H15NO/c15-13-11-8-4-3-7-10(11)12(14-13)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,14,15)
InChIKeyZACDUXJGJGMLLO-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopentyl-2,3-dihydroisoindol-1-one 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

4-bromo-3-cyclopentyl-2,3-dihydroisoindol-1-one
CID 84738977
3-cyclopentyl-4-fluoro-2,3-dihydroisoindol-1-one
CID 84735172
3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one
CID 171099763
4-chloro-3-cyclobutyl-2,3-dihydroisoindol-1-one
CID 84735344
1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 82274917
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 604181
1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione
CID 132988443
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one
CID 153205873
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
3-cyclobutyl-5,6-dimethoxy-2,3-dihydroisoindol-1-one
CID 177311772

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-cyclopentyl-2,3-dihydroisoindol-1-one (CID 84733844) is 3-cyclopentyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-cyclopentyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-cyclopentyl-2,3-dihydroisoindol-1-one is O=C1NC(C2CCCC2)c2ccccc21.
What is the InChIKey of 3-cyclopentyl-2,3-dihydroisoindol-1-one?
The InChIKey is ZACDUXJGJGMLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-11-8-4-3-7-10(11)12(14-13)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,14,15).
What are the key properties of 3-cyclopentyl-2,3-dihydroisoindol-1-one?
3-cyclopentyl-2,3-dihydroisoindol-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 84733844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).