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'}

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

3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione
CID 60977281
1-[(1R)-2-hydroxy-1-phenylethyl]-3-methylpyrrole-2,5-dione
CID 107863751
N,N-dimethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
CID 60976863
3-methyl-1-(6-methylheptan-2-yl)pyrrole-2,5-dione
CID 60976527
1-[1-(4-aminophenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione
CID 116650666
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione
CID 154691686
7,18-bis[1-(4-bromophenyl)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 177400747
2-[1-[4-(4-chlorophenyl)phenyl]ethyl]isoindole-1,3-dione
CID 91078118
2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid
CID 22403510
1-[1-(4-methylphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168707660
2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one
CID 54976202

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).