1-benzyl-3-methylpyrrole-2,5-dione

C12H11NO2 — CID 11435603

IUPAC1-benzyl-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyKOQFJKQRPZRORH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.50
Rot. Bonds2

About 1-benzyl-3-methylpyrrole-2,5-dione

1-benzyl-3-methylpyrrole-2,5-dione (PubChem CID 11435603) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-benzyl-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-methylpyrrole-2,5-dione
PubChem CID11435603
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name1-benzyl-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyKOQFJKQRPZRORH-UHFFFAOYSA-N
XLogP1.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.50
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

N,N-diethyl-m-toluamide
CID 4284
N,N-Diethylbenzamide
CID 15542
Tebutam
CID 92299
Benzoylpiperidine
CID 69892
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
N,N-Dimethylbenzamide
CID 11916
Benzylmaleimide
CID 74204
1-Benzyl-3-pyrrolidone
CID 79176
Ripa-56
CID 121439991
N,N-Diethyl-p-toluamide
CID 75946
N-Benzylacetamide
CID 11500
Maleimide, N-phenethyl-
CID 243296

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-methylpyrrole-2,5-dione (CID 11435603) is 1-benzyl-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-methylpyrrole-2,5-dione?
The InChIKey is KOQFJKQRPZRORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 1-benzyl-3-methylpyrrole-2,5-dione?
1-benzyl-3-methylpyrrole-2,5-dione has a molecular weight of 201.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 11435603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).