2-(1-hydroxypropan-2-yl)isoindole-1,3-dione

C11H11NO3 — CID 600020

IUPAC2-(1-hydroxypropan-2-yl)isoindole-1,3-dione
SMILESCC(CO)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3
InChIKeyKYTIHOIDWMVRKU-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.66
Rot. Bonds2

About 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione

2-(1-hydroxypropan-2-yl)isoindole-1,3-dione (PubChem CID 600020) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)isoindole-1,3-dione
PubChem CID600020
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(1-hydroxypropan-2-yl)isoindole-1,3-dione
SMILESCC(CO)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3
InChIKeyKYTIHOIDWMVRKU-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxypropan-2-yl)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-(1-hydroxypropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione (CID 600020) is 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione is CC(CO)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione?
The InChIKey is KYTIHOIDWMVRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione?
2-(1-hydroxypropan-2-yl)isoindole-1,3-dione has a molecular weight of 205.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 600020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).