3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one

C18H16N2O2 — CID 44576793

IUPAC3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(/C=C/c2ccc(Oc3ccccc3)cc2)=NN1
InChIInChI=1S/C18H16N2O2/c21-18-13-10-15(19-20-18)9-6-14-7-11-17(12-8-14)22-16-4-2-1-3-5-16/h1-9,11-12H,10,13H2,(H,20,21)/b9-6+
InChIKeyIYASIWBDHAYCDX-RMKNXTFCSA-N
MW292.34 g/mol
LogP3.76
Rot. Bonds4

About 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 44576793) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID44576793
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(/C=C/c2ccc(Oc3ccccc3)cc2)=NN1
InChIInChI=1S/C18H16N2O2/c21-18-13-10-15(19-20-18)9-6-14-7-11-17(12-8-14)22-16-4-2-1-3-5-16/h1-9,11-12H,10,13H2,(H,20,21)/b9-6+
InChIKeyIYASIWBDHAYCDX-RMKNXTFCSA-N
XLogP3.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dihydro-6-(4-propoxyphenyl)-
CID 217732
6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475381
6-(4-fluorophenyl)-4-(4-methoxybenzyl)-3(2H)-pyridazinone
CID 2811501
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
4-(4-methoxyphenyl)-N'-[(E)-(4-methylphenyl)methylidene]butanehydrazide
CID 9580173
6-(4-butoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 12004848
3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 57402849
6-(4-Methoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 689109
6-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-3(2H)-pyridazinone
CID 1471677
trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5409662
N'-[(1E)-1-(4-ethoxyphenyl)ethylidene]-2-methoxy-2-phenylacetohydrazide
CID 6142920
4-(4-methoxyphenyl)-N'-[(E)-(2-methoxyphenyl)methylidene]butanehydrazide
CID 9596425

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 44576793) is 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(/C=C/c2ccc(Oc3ccccc3)cc2)=NN1.
What is the InChIKey of 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is IYASIWBDHAYCDX-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18-13-10-15(19-20-18)9-6-14-7-11-17(12-8-14)22-16-4-2-1-3-5-16/h1-9,11-12H,10,13H2,(H,20,21)/b9-6+.
What are the key properties of 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 292.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-phenoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 44576793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).