methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate

C11H14N2O4 — CID 11447756

IUPACmethyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate
SMILESCOC(=O)CC/C=C/c1cnc(=O)[nH]c1OC
InChIInChI=1S/C11H14N2O4/c1-16-9(14)6-4-3-5-8-7-12-11(15)13-10(8)17-2/h3,5,7H,4,6H2,1-2H3,(H,12,13,15)/b5-3+
InChIKeyCZEPZCWZHHVJTO-HWKANZROSA-N
MW238.24 g/mol
LogP0.74
Rot. Bonds5

About methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate

methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate (PubChem CID 11447756) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate
PubChem CID11447756
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate
SMILESCOC(=O)CC/C=C/c1cnc(=O)[nH]c1OC
InChIInChI=1S/C11H14N2O4/c1-16-9(14)6-4-3-5-8-7-12-11(15)13-10(8)17-2/h3,5,7H,4,6H2,1-2H3,(H,12,13,15)/b5-3+
InChIKeyCZEPZCWZHHVJTO-HWKANZROSA-N
XLogP0.74
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate?
The IUPAC name of methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate (CID 11447756) is methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate.
What is the SMILES notation for methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate?
The canonical SMILES for methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate is COC(=O)CC/C=C/c1cnc(=O)[nH]c1OC.
What is the InChIKey of methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate?
The InChIKey is CZEPZCWZHHVJTO-HWKANZROSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-9(14)6-4-3-5-8-7-12-11(15)13-10(8)17-2/h3,5,7H,4,6H2,1-2H3,(H,12,13,15)/b5-3+.
What are the key properties of methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate?
methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate has a molecular weight of 238.24 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate is sourced from PubChem (CID 11447756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).