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

C8H7FN2O4 — CID 14477736

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H7FN2O4/c1-2-6(12)15-4-11-3-5(9)7(13)10-8(11)14/h2-3H,1,4H2,(H,10,13,14)
InChIKeyHMARUHPDKFZYNX-UHFFFAOYSA-N
MW214.15 g/mol
LogP-0.64
Rot. Bonds3

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

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate (PubChem CID 14477736) has the molecular formula C8H7FN2O4 and a molecular weight of 214.15 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate
PubChem CID14477736
Molecular FormulaC8H7FN2O4
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H7FN2O4/c1-2-6(12)15-4-11-3-5(9)7(13)10-8(11)14/h2-3H,1,4H2,(H,10,13,14)
InChIKeyHMARUHPDKFZYNX-UHFFFAOYSA-N
XLogP-0.64
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate (CID 14477736) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate is C=CC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate?
The InChIKey is HMARUHPDKFZYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O4/c1-2-6(12)15-4-11-3-5(9)7(13)10-8(11)14/h2-3H,1,4H2,(H,10,13,14).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate has a molecular weight of 214.15 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-2-enoate is sourced from PubChem (CID 14477736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).