4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one

C19H14N2O2 — CID 10335077

IUPAC4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(/C=C/c1cc(=O)[nH]nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14N2O2/c22-17(14-7-3-1-4-8-14)12-11-16-13-18(23)20-21-19(16)15-9-5-2-6-10-15/h1-13H,(H,20,23)/b12-11+
InChIKeySXSWFYPYIIBACL-VAWYXSNFSA-N
MW302.33 g/mol
LogP3.33
Rot. Bonds4

About 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one

4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 10335077) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one
PubChem CID10335077
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(/C=C/c1cc(=O)[nH]nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14N2O2/c22-17(14-7-3-1-4-8-14)12-11-16-13-18(23)20-21-19(16)15-9-5-2-6-10-15/h1-13H,(H,20,23)/b12-11+
InChIKeySXSWFYPYIIBACL-VAWYXSNFSA-N
XLogP3.33
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-1-(2H)-phthalazinone
CID 219150
4-Benzyl-1(2H)-phthalazinone
CID 616651
Hydrazonodeoxybenzoin
CID 5538956
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
3-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5879645
N-[(E)-1-(2-Fluorophenyl)ethylideneamino]benzamide
CID 9656843
4,6-diphenylpyridazin-3(2H)-one
CID 5060259
(4-Hydroxy-6-phenylpyridazin-3-yl)(phenyl)methanone
CID 1515360
2-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5970602
6-(4-Fluorophenyl)-4-phenyl-2,3-dihydropyridazin-3-one
CID 403915
4-benzyl-6-(4-fluorophenyl)pyridazin-3(2H)-one
CID 2810104

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one (CID 10335077) is 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one is O=C(/C=C/c1cc(=O)[nH]nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is SXSWFYPYIIBACL-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-17(14-7-3-1-4-8-14)12-11-16-13-18(23)20-21-19(16)15-9-5-2-6-10-15/h1-13H,(H,20,23)/b12-11+.
What are the key properties of 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one?
4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 302.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 10335077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).