3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione

C14H15NO2 — CID 60976995

IUPAC3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)c2ccc(C)cc2)C1=O
InChIInChI=1S/C14H15NO2/c1-9-4-6-12(7-5-9)11(3)15-13(16)8-10(2)14(15)17/h4-8,11H,1-3H3
InChIKeyZVFBBMBNWLCPHG-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.37
Rot. Bonds2

About 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione

3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione (PubChem CID 60976995) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione
PubChem CID60976995
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)c2ccc(C)cc2)C1=O
InChIInChI=1S/C14H15NO2/c1-9-4-6-12(7-5-9)11(3)15-13(16)8-10(2)14(15)17/h4-8,11H,1-3H3
InChIKeyZVFBBMBNWLCPHG-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
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-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione (CID 60976995) is 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione is CC1=CC(=O)N(C(C)c2ccc(C)cc2)C1=O.
What is the InChIKey of 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione?
The InChIKey is ZVFBBMBNWLCPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-4-6-12(7-5-9)11(3)15-13(16)8-10(2)14(15)17/h4-8,11H,1-3H3.
What are the key properties of 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione?
3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(4-methylphenyl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 60976995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).