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

C13H13NO2 — CID 60902619

IUPAC3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C13H13NO2/c1-9-4-3-5-11(6-9)8-14-12(15)7-10(2)13(14)16/h3-7H,8H2,1-2H3
InChIKeyXZMKXAWPWNPKSO-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.81
Rot. Bonds2

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

3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione (PubChem CID 60902619) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
PubChem CID60902619
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C13H13NO2/c1-9-4-3-5-11(6-9)8-14-12(15)7-10(2)13(14)16/h3-7H,8H2,1-2H3
InChIKeyXZMKXAWPWNPKSO-UHFFFAOYSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
3-methyl-1-[[3-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrrole-2,5-dione
CID 101148281
3-methyl-1-[1-(3-methyl-2,5-dioxopyrrol-1-yl)-2-(3-methylphenyl)ethyl]pyrrole-2,5-dione
CID 154691686
(3aS,7aS)-2-[(3-methylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98346033
1-[(3-methylphenyl)methyl]-7-(trifluoromethyl)indole-2,3-dione
CID 129218535
1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione
CID 43236228
2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione
CID 61018720
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione
CID 16647809
1-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylpyrrole-2,5-dione
CID 65243891
formic acid;2-[(3-methylphenyl)methyl]-4-nitroisoindole-1,3-dione
CID 178053147
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione (CID 60902619) is 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione is CC1=CC(=O)N(Cc2cccc(C)c2)C1=O.
What is the InChIKey of 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is XZMKXAWPWNPKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-4-3-5-11(6-9)8-14-12(15)7-10(2)13(14)16/h3-7H,8H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione?
3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 60902619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).