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

C12H10FNO3 — CID 89431263

IUPAC1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione
SMILESC=C(ON1C(=O)CCC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c1-8(9-2-4-10(13)5-3-9)17-14-11(15)6-7-12(14)16/h2-5H,1,6-7H2
InChIKeyFYPPWQAZBCKYPF-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.88
Rot. Bonds3

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

1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione (PubChem CID 89431263) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione
PubChem CID89431263
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione
SMILESC=C(ON1C(=O)CCC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c1-8(9-2-4-10(13)5-3-9)17-14-11(15)6-7-12(14)16/h2-5H,1,6-7H2
InChIKeyFYPPWQAZBCKYPF-UHFFFAOYSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.88
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione (CID 89431263) is 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione is C=C(ON1C(=O)CCC1=O)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione?
The InChIKey is FYPPWQAZBCKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-8(9-2-4-10(13)5-3-9)17-14-11(15)6-7-12(14)16/h2-5H,1,6-7H2.
What are the key properties of 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione?
1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione has a molecular weight of 235.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 89431263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).