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

C13H12N2O2 — CID 70437731

IUPAC3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESCOc1cccc(/C=C/c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-4-2-3-10(9-12)5-6-11-7-8-13(16)15-14-11/h2-9H,1H3,(H,15,16)/b6-5+
InChIKeyLOOFBRDBABTSOF-AATRIKPKSA-N
MW228.25 g/mol
LogP1.95
Rot. Bonds3

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

3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one (PubChem CID 70437731) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
PubChem CID70437731
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESCOc1cccc(/C=C/c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-4-2-3-10(9-12)5-6-11-7-8-13(16)15-14-11/h2-9H,1H3,(H,15,16)/b6-5+
InChIKeyLOOFBRDBABTSOF-AATRIKPKSA-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

3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437732
3-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 88663337
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
CID 46507902
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-[(E)-2-(3,4-dimethoxy-5-methylsulfinylphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437138
3-[2-(3-methoxy-2-methylsulfanylphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437145
3-[(E)-prop-1-enyl]-1H-pyridazin-6-one
CID 175631366
6-[(Z)-2-(3-methoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
CID 92911296
3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one
CID 141221396
methyl 4-(6-oxo-1H-pyridazin-3-yl)but-3-enoate
CID 170500339

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one (CID 70437731) is 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one is COc1cccc(/C=C/c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The InChIKey is LOOFBRDBABTSOF-AATRIKPKSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-12-4-2-3-10(9-12)5-6-11-7-8-13(16)15-14-11/h2-9H,1H3,(H,15,16)/b6-5+.
What are the key properties of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
3-[(E)-2-(3-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-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 70437731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).