methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate

C15H14N2O5 — CID 56605174

IUPACmethyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccccc1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C15H14N2O5/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(18)16-9-17-14/h3-9H,1-2H3,(H,16,17,18)/b11-8+
InChIKeyBZDLYNKTMVTESG-DHZHZOJOSA-N
MW302.29 g/mol
LogP1.72
Rot. Bonds5

About methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate

methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate (PubChem CID 56605174) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate
PubChem CID56605174
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Namemethyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccccc1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C15H14N2O5/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(18)16-9-17-14/h3-9H,1-2H3,(H,16,17,18)/b11-8+
InChIKeyBZDLYNKTMVTESG-DHZHZOJOSA-N
XLogP1.72
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate (CID 56605174) is methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate is CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(=O)[nH]cn1.
What is the InChIKey of methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate?
The InChIKey is BZDLYNKTMVTESG-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(18)16-9-17-14/h3-9H,1-2H3,(H,16,17,18)/b11-8+.
What are the key properties of methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate?
methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate has a molecular weight of 302.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate is sourced from PubChem (CID 56605174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).