2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C13H19NO3 — CID 139838730

IUPAC2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESO=C1C2CCCCC2C(=O)N1C1CCCC1O
InChIInChI=1S/C13H19NO3/c15-11-7-3-6-10(11)14-12(16)8-4-1-2-5-9(8)13(14)17/h8-11,15H,1-7H2
InChIKeyDHFKNAOIJLIZOE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds1

About 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 139838730) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID139838730
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESO=C1C2CCCCC2C(=O)N1C1CCCC1O
InChIInChI=1S/C13H19NO3/c15-11-7-3-6-10(11)14-12(16)8-4-1-2-5-9(8)13(14)17/h8-11,15H,1-7H2
InChIKeyDHFKNAOIJLIZOE-UHFFFAOYSA-N
XLogP1.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 139838730) is 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is O=C1C2CCCCC2C(=O)N1C1CCCC1O.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is DHFKNAOIJLIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-11-7-3-6-10(11)14-12(16)8-4-1-2-5-9(8)13(14)17/h8-11,15H,1-7H2.
What are the key properties of 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 237.30 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 139838730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).