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

C12H12N2O — CID 1472184

IUPAC3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(/C=C/c2ccccc2)=NN1
InChIInChI=1S/C12H12N2O/c15-12-9-8-11(13-14-12)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)/b7-6+
InChIKeyBHAMKLMGLDPCFV-VOTSOKGWSA-N
MW200.24 g/mol
LogP1.97
Rot. Bonds2

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

3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 1472184) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID1472184
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(/C=C/c2ccccc2)=NN1
InChIInChI=1S/C12H12N2O/c15-12-9-8-11(13-14-12)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)/b7-6+
InChIKeyBHAMKLMGLDPCFV-VOTSOKGWSA-N
XLogP1.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
3-Phenyl-6-pyridazone
CID 75106
6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one
CID 689108
3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 2727495
6-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyridazin-3-one
CID 5707079
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'-(3-cyclohexen-1-ylmethylene)-3-phenylpropanohydrazide
CID 5722040

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 1472184) is 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(/C=C/c2ccccc2)=NN1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is BHAMKLMGLDPCFV-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-9-8-11(13-14-12)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)/b7-6+.
What are the key properties of 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 200.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 1472184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).