3-(4-ethoxyphenyl)pyrrolidine-2,5-dione

C12H13NO3 — CID 4588471

IUPAC3-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(C2CC(=O)NC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-2-16-9-5-3-8(4-6-9)10-7-11(14)13-12(10)15/h3-6,10H,2,7H2,1H3,(H,13,14,15)
InChIKeyWZHOCLCWGGMOLJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.22
Rot. Bonds3

About 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione

3-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 4588471) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID4588471
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(C2CC(=O)NC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-2-16-9-5-3-8(4-6-9)10-7-11(14)13-12(10)15/h3-6,10H,2,7H2,1H3,(H,13,14,15)
InChIKeyWZHOCLCWGGMOLJ-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
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 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 4588471) is 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(C2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is WZHOCLCWGGMOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-16-9-5-3-8(4-6-9)10-7-11(14)13-12(10)15/h3-6,10H,2,7H2,1H3,(H,13,14,15).
What are the key properties of 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
3-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4588471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).