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

C13H14N2O — CID 155511187

IUPAC3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cccc(/C=C/C2=NNC(=O)CC2)c1
InChIInChI=1S/C13H14N2O/c1-10-3-2-4-11(9-10)5-6-12-7-8-13(16)15-14-12/h2-6,9H,7-8H2,1H3,(H,15,16)/b6-5+
InChIKeySXDSOEDAYAZNPL-AATRIKPKSA-N
MW214.27 g/mol
LogP2.27
Rot. Bonds2

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

3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 155511187) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID155511187
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cccc(/C=C/C2=NNC(=O)CC2)c1
InChIInChI=1S/C13H14N2O/c1-10-3-2-4-11(9-10)5-6-12-7-8-13(16)15-14-12/h2-6,9H,7-8H2,1H3,(H,15,16)/b6-5+
InChIKeySXDSOEDAYAZNPL-AATRIKPKSA-N
XLogP2.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 2727495
3-Phenyl-5-pyrazolone
CID 78577
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N-(1,3-diphenylpropan-2-ylideneamino)cyclopropanecarboxamide
CID 4175602
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-[(1E)-1-(3,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 5334232
N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
CID 6384615
2-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-YL)-N'-[(1E,2E)-3-phenyl-2-propen-1-ylidene]acetohydrazide
CID 9593792
N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]acetamide
CID 9664736
N'-(1-methyl-3-phenylpropylidene)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 6049016

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 155511187) is 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1cccc(/C=C/C2=NNC(=O)CC2)c1.
What is the InChIKey of 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SXDSOEDAYAZNPL-AATRIKPKSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-3-2-4-11(9-10)5-6-12-7-8-13(16)15-14-12/h2-6,9H,7-8H2,1H3,(H,15,16)/b6-5+.
What are the key properties of 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 214.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-methylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 155511187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).