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

C10H12N2O4 — CID 155124412

IUPACethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-4-16-9(14)7(3)12-5-6(2)8(13)11-10(12)15/h5H,3-4H2,1-2H3,(H,11,13,15)
InChIKeyRGQNJNKBUWNVOE-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.12
Rot. Bonds3

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

ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate (PubChem CID 155124412) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate
PubChem CID155124412
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-4-16-9(14)7(3)12-5-6(2)8(13)11-10(12)15/h5H,3-4H2,1-2H3,(H,11,13,15)
InChIKeyRGQNJNKBUWNVOE-UHFFFAOYSA-N
XLogP-0.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate?
The IUPAC name of ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate (CID 155124412) is ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate is C=C(C(=O)OCC)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate?
The InChIKey is RGQNJNKBUWNVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-4-16-9(14)7(3)12-5-6(2)8(13)11-10(12)15/h5H,3-4H2,1-2H3,(H,11,13,15).
What are the key properties of ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate?
ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate has a molecular weight of 224.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate is sourced from PubChem (CID 155124412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).