1-(4-ethoxyphenyl)pyrrole-2,5-dione

C12H11NO3 — CID 29407

IUPAC1-(4-ethoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C12H11NO3/c1-2-16-10-5-3-9(4-6-10)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3
InChIKeyHLQZPKWGAFLVHJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.51
Rot. Bonds3

About 1-(4-ethoxyphenyl)pyrrole-2,5-dione

1-(4-ethoxyphenyl)pyrrole-2,5-dione (PubChem CID 29407) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)pyrrole-2,5-dione
PubChem CID29407
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(4-ethoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C12H11NO3/c1-2-16-10-5-3-9(4-6-10)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3
InChIKeyHLQZPKWGAFLVHJ-UHFFFAOYSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-ethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)pyrrole-2,5-dione (CID 29407) is 1-(4-ethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)pyrrole-2,5-dione is CCOc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is HLQZPKWGAFLVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-10-5-3-9(4-6-10)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)pyrrole-2,5-dione?
1-(4-ethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 217.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 29407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).