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

C13H12N2O2 — CID 70437732

IUPAC3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESCOc1cccc(C=Cc2ccc(=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)
InChIKeyLOOFBRDBABTSOF-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.95
Rot. Bonds3

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

3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one (PubChem CID 70437732) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
PubChem CID70437732
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESCOc1cccc(C=Cc2ccc(=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)
InChIKeyLOOFBRDBABTSOF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one (CID 70437732) is 3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one is COc1cccc(C=Cc2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The InChIKey is LOOFBRDBABTSOF-UHFFFAOYSA-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).
What are the key properties of 3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one?
3-[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-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 70437732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).