2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate

C9H9FN2O4 — CID 19968774

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O4/c1-2-7(13)16-4-3-12-5-6(10)8(14)11-9(12)15/h2,5H,1,3-4H2,(H,11,14,15)
InChIKeySHJDWFJREBVFPF-UHFFFAOYSA-N
MW228.18 g/mol
LogP-0.60
Rot. Bonds4

About 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate (PubChem CID 19968774) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate
PubChem CID19968774
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O4/c1-2-7(13)16-4-3-12-5-6(10)8(14)11-9(12)15/h2,5H,1,3-4H2,(H,11,14,15)
InChIKeySHJDWFJREBVFPF-UHFFFAOYSA-N
XLogP-0.60
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate (CID 19968774) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate?
The InChIKey is SHJDWFJREBVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c1-2-7(13)16-4-3-12-5-6(10)8(14)11-9(12)15/h2,5H,1,3-4H2,(H,11,14,15).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate has a molecular weight of 228.18 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 19968774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).