2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one

C14H16N2O — CID 1475355

IUPAC2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccc(/C=C/C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C14H16N2O/c1-11-3-5-12(6-4-11)7-8-13-9-10-14(17)16(2)15-13/h3-8H,9-10H2,1-2H3/b8-7+
InChIKeySBXXXFVEPHLZBG-BQYQJAHWSA-N
MW228.29 g/mol
LogP2.62
Rot. Bonds2

About 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one (PubChem CID 1475355) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one
PubChem CID1475355
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccc(/C=C/C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C14H16N2O/c1-11-3-5-12(6-4-11)7-8-13-9-10-14(17)16(2)15-13/h3-8H,9-10H2,1-2H3/b8-7+
InChIKeySBXXXFVEPHLZBG-BQYQJAHWSA-N
XLogP2.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
1-(5-Phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 4026325
4,5-Dihydro-(1H)-pyrazole derivative, 3b
CID 11521279
6-(4-isopropylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1471687
2-benzyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472186
2-methyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472188
2-allyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475372
2-benzyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475374
6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472184
2-allyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472190
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
CID 142562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one (CID 1475355) is 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one is Cc1ccc(/C=C/C2=NN(C)C(=O)CC2)cc1.
What is the InChIKey of 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is SBXXXFVEPHLZBG-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-3-5-12(6-4-11)7-8-13-9-10-14(17)16(2)15-13/h3-8H,9-10H2,1-2H3/b8-7+.
What are the key properties of 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 228.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1475355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).