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

C9H9FN2O5 — CID 10377149

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O5/c1-5(2)17-9(15)16-4-12-3-6(10)7(13)11-8(12)14/h3H,1,4H2,2H3,(H,11,13,14)
InChIKeyGCBAJCQEVUNAQT-UHFFFAOYSA-N
MW244.18 g/mol
LogP0.32
Rot. Bonds3

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

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate (PubChem CID 10377149) has the molecular formula C9H9FN2O5 and a molecular weight of 244.18 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate
PubChem CID10377149
Molecular FormulaC9H9FN2O5
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O5/c1-5(2)17-9(15)16-4-12-3-6(10)7(13)11-8(12)14/h3H,1,4H2,2H3,(H,11,13,14)
InChIKeyGCBAJCQEVUNAQT-UHFFFAOYSA-N
XLogP0.32
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate (CID 10377149) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate is C=C(C)OC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate?
The InChIKey is GCBAJCQEVUNAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O5/c1-5(2)17-9(15)16-4-12-3-6(10)7(13)11-8(12)14/h3H,1,4H2,2H3,(H,11,13,14).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate has a molecular weight of 244.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate is sourced from PubChem (CID 10377149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).