2-(2,3-dihydroxypropyl)isoindole-1,3-dione

C11H11NO4 — CID 13166848

IUPAC2-(2,3-dihydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CO
InChIInChI=1S/C11H11NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,7,13-14H,5-6H2
InChIKeyGUUVCKWUQHAMTB-UHFFFAOYSA-N
MW221.21 g/mol
LogP-0.36
Rot. Bonds3

About 2-(2,3-dihydroxypropyl)isoindole-1,3-dione

2-(2,3-dihydroxypropyl)isoindole-1,3-dione (PubChem CID 13166848) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)isoindole-1,3-dione
PubChem CID13166848
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(2,3-dihydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CO
InChIInChI=1S/C11H11NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,7,13-14H,5-6H2
InChIKeyGUUVCKWUQHAMTB-UHFFFAOYSA-N
XLogP-0.36
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydroxypropyl)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-(2,3-dihydroxypropyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,3-dihydroxypropyl)isoindole-1,3-dione (CID 13166848) is 2-(2,3-dihydroxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,3-dihydroxypropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropyl)isoindole-1,3-dione?
The InChIKey is GUUVCKWUQHAMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,7,13-14H,5-6H2.
What are the key properties of 2-(2,3-dihydroxypropyl)isoindole-1,3-dione?
2-(2,3-dihydroxypropyl)isoindole-1,3-dione has a molecular weight of 221.21 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 13166848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).