4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one

C13H14N2O2 — CID 162369806

IUPAC4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
SMILESCOc1ccc(C=C2CC(=O)NN=C2C)cc1
InChIInChI=1S/C13H14N2O2/c1-9-11(8-13(16)15-14-9)7-10-3-5-12(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyZFBNSUPKCBGLJW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.97
Rot. Bonds2

About 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one

4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one (PubChem CID 162369806) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
PubChem CID162369806
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
SMILESCOc1ccc(C=C2CC(=O)NN=C2C)cc1
InChIInChI=1S/C13H14N2O2/c1-9-11(8-13(16)15-14-9)7-10-3-5-12(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyZFBNSUPKCBGLJW-UHFFFAOYSA-N
XLogP1.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
CID 605366
(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one
CID 132509690
3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one
CID 174799833
2-[(4-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064867
(4E)-4-[(4-chlorophenyl)methylidene]-N,3-dimethyl-1H-pyridazin-6-imine
CID 135818453
(4E)-4-[(4-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 5386572
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(3E)-1-ethyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-1-ium-4-one
CID 6993742
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
ethyl 2-[(3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-4-oxocyclohexylidene]acetate
CID 10873464

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one (CID 162369806) is 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one is COc1ccc(C=C2CC(=O)NN=C2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one?
The InChIKey is ZFBNSUPKCBGLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-11(8-13(16)15-14-9)7-10-3-5-12(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one?
4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 162369806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).