2-methyl-5-(2-oxoethenyl)pyridazin-3-one

C7H6N2O2 — CID 171833308

IUPAC2-methyl-5-(2-oxoethenyl)pyridazin-3-one
SMILESCn1ncc(C=C=O)cc1=O
InChIInChI=1S/C7H6N2O2/c1-9-7(11)4-6(2-3-10)5-8-9/h2,4-5H,1H3
InChIKeyDOGKCUZSZVYCDP-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.37
Rot. Bonds1

About 2-methyl-5-(2-oxoethenyl)pyridazin-3-one

2-methyl-5-(2-oxoethenyl)pyridazin-3-one (PubChem CID 171833308) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-methyl-5-(2-oxoethenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(2-oxoethenyl)pyridazin-3-one
PubChem CID171833308
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name2-methyl-5-(2-oxoethenyl)pyridazin-3-one
SMILESCn1ncc(C=C=O)cc1=O
InChIInChI=1S/C7H6N2O2/c1-9-7(11)4-6(2-3-10)5-8-9/h2,4-5H,1H3
InChIKeyDOGKCUZSZVYCDP-UHFFFAOYSA-N
XLogP-0.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1-methyl-6-oxopyridazin-4-yl)prop-2-enenitrile
CID 44434571
2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
2-[(1-Methyl-6-oxopyridazin-4-yl)methylidene]propanedinitrile
CID 24749931
5-[(Z)-2-chloroethenyl]-2-methylpyridazin-3-one
CID 102397732
2-methyl-5-vinylpyridazin-3(2H)-one
CID 71418081
4,6-Dideuterio-5-(1,2-dideuterio-2-ethoxyethenyl)-2-(trideuteriomethyl)pyridazin-3-one
CID 118950571
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
5-Ethyl-2-methylpyridazin-3-one
CID 126553938
1-Methyl-6-oxopyridazine-4-carboxamide
CID 143797477
2,5-Dimethylpyridazin-3-one;ethane
CID 144053992
Ethane;5-ethyl-2-methylpyridazin-3-one
CID 144079070
ethane;2-[(2E)-2-ethenylpenta-2,4-dienyl]-5-methylpyridazin-3-one
CID 145299053

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-oxoethenyl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(2-oxoethenyl)pyridazin-3-one (CID 171833308) is 2-methyl-5-(2-oxoethenyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(2-oxoethenyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(2-oxoethenyl)pyridazin-3-one is Cn1ncc(C=C=O)cc1=O.
What is the InChIKey of 2-methyl-5-(2-oxoethenyl)pyridazin-3-one?
The InChIKey is DOGKCUZSZVYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-9-7(11)4-6(2-3-10)5-8-9/h2,4-5H,1H3.
What are the key properties of 2-methyl-5-(2-oxoethenyl)pyridazin-3-one?
2-methyl-5-(2-oxoethenyl)pyridazin-3-one has a molecular weight of 150.14 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-oxoethenyl)pyridazin-3-one is sourced from PubChem (CID 171833308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).