2-(5-hydroxypentyl)isoindole-1,3-dione

C13H15NO3 — CID 594844

IUPAC2-(5-hydroxypentyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCO
InChIInChI=1S/C13H15NO3/c15-9-5-1-4-8-14-12(16)10-6-2-3-7-11(10)13(14)17/h2-3,6-7,15H,1,4-5,8-9H2
InChIKeyAEQXSCZKSNBLQW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.45
Rot. Bonds5

About 2-(5-hydroxypentyl)isoindole-1,3-dione

2-(5-hydroxypentyl)isoindole-1,3-dione (PubChem CID 594844) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-hydroxypentyl)isoindole-1,3-dione
PubChem CID594844
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(5-hydroxypentyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCO
InChIInChI=1S/C13H15NO3/c15-9-5-1-4-8-14-12(16)10-6-2-3-7-11(10)13(14)17/h2-3,6-7,15H,1,4-5,8-9H2
InChIKeyAEQXSCZKSNBLQW-UHFFFAOYSA-N
XLogP1.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-hydroxypentyl)isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentyl)isoindole-1,3-dione?
The IUPAC name of 2-(5-hydroxypentyl)isoindole-1,3-dione (CID 594844) is 2-(5-hydroxypentyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-hydroxypentyl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-hydroxypentyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCO.
What is the InChIKey of 2-(5-hydroxypentyl)isoindole-1,3-dione?
The InChIKey is AEQXSCZKSNBLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-9-5-1-4-8-14-12(16)10-6-2-3-7-11(10)13(14)17/h2-3,6-7,15H,1,4-5,8-9H2.
What are the key properties of 2-(5-hydroxypentyl)isoindole-1,3-dione?
2-(5-hydroxypentyl)isoindole-1,3-dione has a molecular weight of 233.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)isoindole-1,3-dione is sourced from PubChem (CID 594844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).