2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione

C15H11NO2 — CID 94776

IUPAC2-(2-methylphenyl)isoindole-1,3-dione
SMILESCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C2=O
InChIInChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
InChIKeyKPYGHQALDAITMY-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.80
Rot. Bonds1

About 2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione

2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione (PubChem CID 94776) has the molecular formula C15H11NO2 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
PubChem CID94776
Molecular FormulaC15H11NO2
Molecular Weight237.25 g/mol
Exact Mass237.08
IUPAC Name2-(2-methylphenyl)isoindole-1,3-dione
SMILESCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C2=O
InChIInChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
InChIKeyKPYGHQALDAITMY-UHFFFAOYSA-N
XLogP2.80
TPSA37.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity342

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione with MolForge

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

Launch Full Analysis

Related Compounds

Ebselen
CID 3194
Acetylisatin
CID 11321
N-Phenylphthalimide
CID 68215
ML SA1
CID 2880983
1-Phenylisatin
CID 12884
1-Methylisatin
CID 16358
N-Methyloxindole
CID 6096
benz(cd)indol-2(1H)-one
CID 67222
N-1-Naphthylphthalimide
CID 79252
Phthalimide, N-(p-chlorophenyl)-
CID 81867
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
1-Benzylisatin
CID 264734

Frequently Asked Questions

What is the IUPAC name of 2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione?
The IUPAC name of 2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione (CID 94776) is 2-(2-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione?
The canonical SMILES for 2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione is CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C2=O.
What is the InChIKey of 2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione?
The InChIKey is KPYGHQALDAITMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3.
What are the key properties of 2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione?
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione has a molecular weight of 237.25 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-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione is sourced from PubChem (CID 94776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).