3-(2,6-dimethylphenyl)pyrrole-2,5-dione

C12H11NO2 — CID 54201617

IUPAC3-(2,6-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(C)c1C1=CC(=O)NC1=O
InChIInChI=1S/C12H11NO2/c1-7-4-3-5-8(2)11(7)9-6-10(14)13-12(9)15/h3-6H,1-2H3,(H,13,14,15)
InChIKeyPPQRFOFHENJYMN-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.34
Rot. Bonds1

About 3-(2,6-dimethylphenyl)pyrrole-2,5-dione

3-(2,6-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 54201617) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)pyrrole-2,5-dione
PubChem CID54201617
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-(2,6-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(C)c1C1=CC(=O)NC1=O
InChIInChI=1S/C12H11NO2/c1-7-4-3-5-8(2)11(7)9-6-10(14)13-12(9)15/h3-6H,1-2H3,(H,13,14,15)
InChIKeyPPQRFOFHENJYMN-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylphenyl)pyrrole-2,5-dione (CID 54201617) is 3-(2,6-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylphenyl)pyrrole-2,5-dione is Cc1cccc(C)c1C1=CC(=O)NC1=O.
What is the InChIKey of 3-(2,6-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is PPQRFOFHENJYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-4-3-5-8(2)11(7)9-6-10(14)13-12(9)15/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 3-(2,6-dimethylphenyl)pyrrole-2,5-dione?
3-(2,6-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 201.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 54201617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).