1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione

C13H13NO3 — CID 159284637

IUPAC1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione
SMILESC=C(ON1C(=O)CCC1=O)c1ccc(C)cc1
InChIInChI=1S/C13H13NO3/c1-9-3-5-11(6-4-9)10(2)17-14-12(15)7-8-13(14)16/h3-6H,2,7-8H2,1H3
InChIKeyDKRBRWMBEXKMJI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione

1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione (PubChem CID 159284637) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione
PubChem CID159284637
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione
SMILESC=C(ON1C(=O)CCC1=O)c1ccc(C)cc1
InChIInChI=1S/C13H13NO3/c1-9-3-5-11(6-4-9)10(2)17-14-12(15)7-8-13(14)16/h3-6H,2,7-8H2,1H3
InChIKeyDKRBRWMBEXKMJI-UHFFFAOYSA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[1-(4-methylphenyl)ethenoxy]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 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione (CID 159284637) is 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione is C=C(ON1C(=O)CCC1=O)c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione?
The InChIKey is DKRBRWMBEXKMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-3-5-11(6-4-9)10(2)17-14-12(15)7-8-13(14)16/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione?
1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione has a molecular weight of 231.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 159284637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).