2-(4-methylphenyl)isoindole-1,3-dione

C15H11NO2 — CID 616999

IUPAC2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO2/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKeyMXNBXEFODBPXBQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.80
Rot. Bonds1

About 2-(4-methylphenyl)isoindole-1,3-dione

2-(4-methylphenyl)isoindole-1,3-dione (PubChem CID 616999) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-methylphenyl)isoindole-1,3-dione
PubChem CID616999
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO2/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKeyMXNBXEFODBPXBQ-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenyl)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-(4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-methylphenyl)isoindole-1,3-dione (CID 616999) is 2-(4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-methylphenyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)isoindole-1,3-dione?
The InChIKey is MXNBXEFODBPXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)isoindole-1,3-dione?
2-(4-methylphenyl)isoindole-1,3-dione has a molecular weight of 237.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 616999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).