(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate

C13H12FNO4 — CID 19102955

IUPAC(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate
SMILESCC(C(=O)OC1CC(=O)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO4/c1-7(8-2-4-9(14)5-3-8)13(18)19-10-6-11(16)15-12(10)17/h2-5,7,10H,6H2,1H3,(H,15,16,17)
InChIKeyPQLRVTGGGTZNIE-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.89
Rot. Bonds3

About (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate

(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate (PubChem CID 19102955) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate
PubChem CID19102955
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate
SMILESCC(C(=O)OC1CC(=O)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO4/c1-7(8-2-4-9(14)5-3-8)13(18)19-10-6-11(16)15-12(10)17/h2-5,7,10H,6H2,1H3,(H,15,16,17)
InChIKeyPQLRVTGGGTZNIE-UHFFFAOYSA-N
XLogP0.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate (CID 19102955) is (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate is CC(C(=O)OC1CC(=O)NC1=O)c1ccc(F)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate?
The InChIKey is PQLRVTGGGTZNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-7(8-2-4-9(14)5-3-8)13(18)19-10-6-11(16)15-12(10)17/h2-5,7,10H,6H2,1H3,(H,15,16,17).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate?
(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate has a molecular weight of 265.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate is sourced from PubChem (CID 19102955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).