3,4-dimethyl-1-phenylpyrrole-2,5-dione

C12H11NO2 — CID 12685020

IUPAC3,4-dimethyl-1-phenylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H11NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyXCOLWDZEHYDCOP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.90
Rot. Bonds1

About 3,4-dimethyl-1-phenylpyrrole-2,5-dione

3,4-dimethyl-1-phenylpyrrole-2,5-dione (PubChem CID 12685020) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-phenylpyrrole-2,5-dione
PubChem CID12685020
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name3,4-dimethyl-1-phenylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H11NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyXCOLWDZEHYDCOP-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.90
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

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N-Phenylmaleimide
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2-Methylacetanilide
CID 12107
Butylacetanilide
CID 7051
N,N'-1,3-Phenylenedimaleimide
CID 18156
Succinanil
CID 66519
N-(4-Methylphenyl)maleimide
CID 15399
Fluoroimide
CID 93228
N,N-Diphenylacetamide
CID 10615

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-phenylpyrrole-2,5-dione (CID 12685020) is 3,4-dimethyl-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-phenylpyrrole-2,5-dione is CC1=C(C)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3,4-dimethyl-1-phenylpyrrole-2,5-dione?
The InChIKey is XCOLWDZEHYDCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 3,4-dimethyl-1-phenylpyrrole-2,5-dione?
3,4-dimethyl-1-phenylpyrrole-2,5-dione has a molecular weight of 201.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 12685020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).