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

C12H11NO4 — CID 2732664

IUPAC1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C12H11NO4/c1-16-9-5-8(6-10(7-9)17-2)13-11(14)3-4-12(13)15/h3-7H,1-2H3
InChIKeyLKRMOUHRAYRRAA-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.13
Rot. Bonds3

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

1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 2732664) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione
PubChem CID2732664
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C12H11NO4/c1-16-9-5-8(6-10(7-9)17-2)13-11(14)3-4-12(13)15/h3-7H,1-2H3
InChIKeyLKRMOUHRAYRRAA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione (CID 2732664) is 1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione is COc1cc(OC)cc(N2C(=O)C=CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is LKRMOUHRAYRRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-9-5-8(6-10(7-9)17-2)13-11(14)3-4-12(13)15/h3-7H,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)pyrrole-2,5-dione?
1-(3,5-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-(3,5-dimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 2732664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).