prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate

C9H9FN2O4 — CID 67126684

IUPACprop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
SMILESC=CCOC(=O)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C9H9FN2O4/c1-2-3-16-7(13)5-12-8(14)6(10)4-11-9(12)15/h2,4H,1,3,5H2,(H,11,15)
InChIKeyVHIYAPYXTNOATB-UHFFFAOYSA-N
MW228.18 g/mol
LogP-0.60
Rot. Bonds4

About prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate

prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate (PubChem CID 67126684) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
PubChem CID67126684
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Nameprop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
SMILESC=CCOC(=O)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C9H9FN2O4/c1-2-3-16-7(13)5-12-8(14)6(10)4-11-9(12)15/h2,4H,1,3,5H2,(H,11,15)
InChIKeyVHIYAPYXTNOATB-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Allyl (2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate
CID 376608
Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate
CID 376609
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692
Ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 10039725
Ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 13255658
2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate
CID 19968774
Prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 67126682
Prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-hydroxyacetate
CID 67126841
1-[(5-Fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl prop-2-enoate
CID 67926885
1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate
CID 67926887

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The IUPAC name of prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate (CID 67126684) is prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate.
What is the SMILES notation for prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The canonical SMILES for prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate is C=CCOC(=O)Cn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The InChIKey is VHIYAPYXTNOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c1-2-3-16-7(13)5-12-8(14)6(10)4-11-9(12)15/h2,4H,1,3,5H2,(H,11,15).
What are the key properties of prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate 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 prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate is sourced from PubChem (CID 67126684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).