3-[(4-methylphenyl)methyl]pyrrole-2,5-dione

C12H11NO2 — CID 68740443

IUPAC3-[(4-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCc1ccc(CC2=CC(=O)NC2=O)cc1
InChIInChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)6-10-7-11(14)13-12(10)15/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyXZMOJJSOJCZXNT-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.12
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione

3-[(4-methylphenyl)methyl]pyrrole-2,5-dione (PubChem CID 68740443) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]pyrrole-2,5-dione
PubChem CID68740443
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-[(4-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCc1ccc(CC2=CC(=O)NC2=O)cc1
InChIInChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)6-10-7-11(14)13-12(10)15/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyXZMOJJSOJCZXNT-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.12
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-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione (CID 68740443) is 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione is Cc1ccc(CC2=CC(=O)NC2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is XZMOJJSOJCZXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)6-10-7-11(14)13-12(10)15/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
3-[(4-methylphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 201.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 68740443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).