3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one

C13H12N2O2 — CID 70438810

IUPAC3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESCOc1ccccc1/C=C/c1ccc(=O)[nH]n1
InChIInChI=1S/C13H12N2O2/c1-17-12-5-3-2-4-10(12)6-7-11-8-9-13(16)15-14-11/h2-9H,1H3,(H,15,16)/b7-6+
InChIKeyIWMOPZWABZFLKF-VOTSOKGWSA-N
MW228.25 g/mol
LogP1.95
Rot. Bonds3

About 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one

3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one (PubChem CID 70438810) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
PubChem CID70438810
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESCOc1ccccc1/C=C/c1ccc(=O)[nH]n1
InChIInChI=1S/C13H12N2O2/c1-17-12-5-3-2-4-10(12)6-7-11-8-9-13(16)15-14-11/h2-9H,1H3,(H,15,16)/b7-6+
InChIKeyIWMOPZWABZFLKF-VOTSOKGWSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-Methoxyphenyl)-2,3-dihydropyridazin-3-one
CID 2810166
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 5725722
Cinnamic acid, p-methoxy-, hydrazide
CID 5882350
6-(3,4-Dimethoxyphenyl)pyridazin-3-ol
CID 13136110
6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475381
(Z)-3-(2-Methoxy-phenyl)-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-acrylamide
CID 9698992
6-(4-Methoxystyryl)-3-pyridazinol
CID 5707080
6-(4-Methoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 689109
6-(2-Hydroxyphenyl)-3(2H)-pyridazinone
CID 3017346
2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile
CID 3813305
2-Methoxybenzaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone
CID 6243264
N-[(E)-(2-methoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 6868939

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one (CID 70438810) is 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one is COc1ccccc1/C=C/c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The InChIKey is IWMOPZWABZFLKF-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-12-5-3-2-4-10(12)6-7-11-8-9-13(16)15-14-11/h2-9H,1H3,(H,15,16)/b7-6+.
What are the key properties of 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one has a molecular weight of 228.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 70438810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).