(3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate

C11H14N2O4 — CID 169034428

IUPAC(3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCn1ccc(=O)n(CC)c1=O
InChIInChI=1S/C11H14N2O4/c1-4-13-9(14)5-6-12(11(13)16)7-17-10(15)8(2)3/h5-6H,2,4,7H2,1,3H3
InChIKeyYRUZQPPIQUXBPQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.11
Rot. Bonds4

About (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate

(3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate (PubChem CID 169034428) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
PubChem CID169034428
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCn1ccc(=O)n(CC)c1=O
InChIInChI=1S/C11H14N2O4/c1-4-13-9(14)5-6-12(11(13)16)7-17-10(15)8(2)3/h5-6H,2,4,7H2,1,3H3
InChIKeyYRUZQPPIQUXBPQ-UHFFFAOYSA-N
XLogP0.11
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate (CID 169034428) is (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCn1ccc(=O)n(CC)c1=O.
What is the InChIKey of (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The InChIKey is YRUZQPPIQUXBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-13-9(14)5-6-12(11(13)16)7-17-10(15)8(2)3/h5-6H,2,4,7H2,1,3H3.
What are the key properties of (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
(3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate has a molecular weight of 238.24 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 169034428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).