1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione

C14H12F3NO3 — CID 154709010

IUPAC1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1OC/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3/c15-14(16,17)11-5-3-10(4-6-11)2-1-9-21-18-12(19)7-8-13(18)20/h1-6H,7-9H2/b2-1+
InChIKeyYQDFUTBVYGSFRL-OWOJBTEDSA-N
MW299.25 g/mol
LogP2.80
Rot. Bonds4

About 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione

1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione (PubChem CID 154709010) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione
PubChem CID154709010
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1OC/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3/c15-14(16,17)11-5-3-10(4-6-11)2-1-9-21-18-12(19)7-8-13(18)20/h1-6H,7-9H2/b2-1+
InChIKeyYQDFUTBVYGSFRL-OWOJBTEDSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]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-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione (CID 154709010) is 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione is O=C1CCC(=O)N1OC/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione?
The InChIKey is YQDFUTBVYGSFRL-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12F3NO3/c15-14(16,17)11-5-3-10(4-6-11)2-1-9-21-18-12(19)7-8-13(18)20/h1-6H,7-9H2/b2-1+.
What are the key properties of 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione?
1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione has a molecular weight of 299.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 154709010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).