1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione

C12H11NO4 — CID 708844

IUPAC1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C=CC2=O)cc1OC
InChIInChI=1S/C12H11NO4/c1-16-9-4-3-8(7-10(9)17-2)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InChIKeyFOGSUFVHERDFDM-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.13
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione

1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 708844) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione
PubChem CID708844
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C=CC2=O)cc1OC
InChIInChI=1S/C12H11NO4/c1-16-9-4-3-8(7-10(9)17-2)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InChIKeyFOGSUFVHERDFDM-UHFFFAOYSA-N
XLogP1.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
Acetamide, N-(3-methoxyphenyl)-
CID 11494
1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 308434
1-(2,5-Dimethoxyphenyl)-1H-pyrrole-2,5-dione
CID 616263
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 886009
3-Methoxyacetaminophen
CID 3080594
N-(4-Ethoxyphenyl)maleimide
CID 29407
N-(3,4,5-Trimethoxyphenyl)acetamide
CID 199504
2-cyano-N-(3,4-dimethoxyphenyl)acetamide
CID 3788216
3-(3,4-Diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 139594652
N-(3,4-Dimethoxyphenyl)acetamide
CID 244160

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione (CID 708844) is 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione is COc1ccc(N2C(=O)C=CC2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is FOGSUFVHERDFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-9-4-3-8(7-10(9)17-2)13-11(14)5-6-12(13)15/h3-7H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione?
1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 233.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 708844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).