prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate

C9H9FN2O5 — CID 67126841

IUPACprop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate
SMILESC=CCOC(=O)C(O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O5/c1-2-3-17-8(15)7(14)12-4-5(10)6(13)11-9(12)16/h2,4,7,14H,1,3H2,(H,11,13,16)
InChIKeyUVHLQYRPHXKIGN-UHFFFAOYSA-N
MW244.18 g/mol
LogP-1.10
Rot. Bonds4

About prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate

prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate (PubChem CID 67126841) has the molecular formula C9H9FN2O5 and a molecular weight of 244.18 g/mol. Its IUPAC name is prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate
PubChem CID67126841
Molecular FormulaC9H9FN2O5
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Nameprop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate
SMILESC=CCOC(=O)C(O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O5/c1-2-3-17-8(15)7(14)12-4-5(10)6(13)11-9(12)16/h2,4,7,14H,1,3H2,(H,11,13,16)
InChIKeyUVHLQYRPHXKIGN-UHFFFAOYSA-N
XLogP-1.10
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate?
The IUPAC name of prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate (CID 67126841) is prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate.
What is the SMILES notation for prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate?
The canonical SMILES for prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate is C=CCOC(=O)C(O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate?
The InChIKey is UVHLQYRPHXKIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O5/c1-2-3-17-8(15)7(14)12-4-5(10)6(13)11-9(12)16/h2,4,7,14H,1,3H2,(H,11,13,16).
What are the key properties of prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate?
prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate has a molecular weight of 244.18 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate is sourced from PubChem (CID 67126841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).