2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one

C19H16N2O — CID 23608995

IUPAC2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one
SMILESC=Cc1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C19H16N2O/c1-2-15-8-10-16(11-9-15)14-21-19(22)13-12-18(20-21)17-6-4-3-5-7-17/h2-13H,1,14H2
InChIKeyXLZXIIAOYZDBFY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.60
Rot. Bonds4

About 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one

2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one (PubChem CID 23608995) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one
PubChem CID23608995
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one
SMILESC=Cc1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C19H16N2O/c1-2-15-8-10-16(11-9-15)14-21-19(22)13-12-18(20-21)17-6-4-3-5-7-17/h2-13H,1,14H2
InChIKeyXLZXIIAOYZDBFY-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one (CID 23608995) is 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one is C=Cc1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one?
The InChIKey is XLZXIIAOYZDBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-15-8-10-16(11-9-15)14-21-19(22)13-12-18(20-21)17-6-4-3-5-7-17/h2-13H,1,14H2.
What are the key properties of 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one?
2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 23608995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).