11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate

C19H29FN2O4 — CID 169034525

IUPAC11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C19H29FN2O4/c1-15(2)18(24)26-13-11-9-7-5-3-4-6-8-10-12-22-14-16(20)17(23)21-19(22)25/h14H,1,3-13H2,2H3,(H,21,23,25)
InChIKeyVVIYVWPXWSTUPK-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.31
Rot. Bonds13

About 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate

11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate (PubChem CID 169034525) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate
PubChem CID169034525
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C19H29FN2O4/c1-15(2)18(24)26-13-11-9-7-5-3-4-6-8-10-12-22-14-16(20)17(23)21-19(22)25/h14H,1,3-13H2,2H3,(H,21,23,25)
InChIKeyVVIYVWPXWSTUPK-UHFFFAOYSA-N
XLogP3.31
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate?
The IUPAC name of 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate (CID 169034525) is 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate.
What is the SMILES notation for 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate?
The canonical SMILES for 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate?
The InChIKey is VVIYVWPXWSTUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O4/c1-15(2)18(24)26-13-11-9-7-5-3-4-6-8-10-12-22-14-16(20)17(23)21-19(22)25/h14H,1,3-13H2,2H3,(H,21,23,25).
What are the key properties of 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate?
11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate has a molecular weight of 368.45 g/mol, XLogP of 3.31, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-fluoro-2,4-dioxopyrimidin-1-yl)undecyl 2-methylprop-2-enoate is sourced from PubChem (CID 169034525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).