ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate

C15H14N2O3 — CID 11065499

IUPACethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(=O)[nH]nc1-c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-2-20-14(19)9-8-12-10-13(18)16-17-15(12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)/b9-8+
InChIKeyDWBTYXYAGDVCHV-CMDGGOBGSA-N
MW270.29 g/mol
LogP2.01
Rot. Bonds4

About ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate

ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate (PubChem CID 11065499) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate
PubChem CID11065499
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(=O)[nH]nc1-c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-2-20-14(19)9-8-12-10-13(18)16-17-15(12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)/b9-8+
InChIKeyDWBTYXYAGDVCHV-CMDGGOBGSA-N
XLogP2.01
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate (CID 11065499) is ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate is CCOC(=O)/C=C/c1cc(=O)[nH]nc1-c1ccccc1.
What is the InChIKey of ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate?
The InChIKey is DWBTYXYAGDVCHV-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-20-14(19)9-8-12-10-13(18)16-17-15(12)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)/b9-8+.
What are the key properties of ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate?
ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate has a molecular weight of 270.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate is sourced from PubChem (CID 11065499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).