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

C11H12N2O3 — CID 613210

IUPAC3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)NC2=O)cc1
InChIInChI=1S/C11H12N2O3/c1-16-8-4-2-7(3-5-8)12-9-6-10(14)13-11(9)15/h2-5,9,12H,6H2,1H3,(H,13,14,15)
InChIKeyLDQWKRVZNTYYFI-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.52
Rot. Bonds3

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

3-(4-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 613210) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(4-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID613210
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)NC2=O)cc1
InChIInChI=1S/C11H12N2O3/c1-16-8-4-2-7(3-5-8)12-9-6-10(14)13-11(9)15/h2-5,9,12H,6H2,1H3,(H,13,14,15)
InChIKeyLDQWKRVZNTYYFI-UHFFFAOYSA-N
XLogP0.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(4-methoxyanilino)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methoxyanilino)pyrrolidine-2,5-dione (CID 613210) is 3-(4-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methoxyanilino)pyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is LDQWKRVZNTYYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-8-4-2-7(3-5-8)12-9-6-10(14)13-11(9)15/h2-5,9,12H,6H2,1H3,(H,13,14,15).
What are the key properties of 3-(4-methoxyanilino)pyrrolidine-2,5-dione?
3-(4-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 220.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 613210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).