5-methyl-2-prop-2-enylpyridazin-3-one

C8H10N2O — CID 130677854

IUPAC5-methyl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(C)cc1=O
InChIInChI=1S/C8H10N2O/c1-3-4-10-8(11)5-7(2)6-9-10/h3,5-6H,1,4H2,2H3
InChIKeyYLGIHXULCORTQE-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.74
Rot. Bonds2

About 5-methyl-2-prop-2-enylpyridazin-3-one

5-methyl-2-prop-2-enylpyridazin-3-one (PubChem CID 130677854) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-methyl-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-prop-2-enylpyridazin-3-one
PubChem CID130677854
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5-methyl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(C)cc1=O
InChIInChI=1S/C8H10N2O/c1-3-4-10-8(11)5-7(2)6-9-10/h3,5-6H,1,4H2,2H3
InChIKeyYLGIHXULCORTQE-UHFFFAOYSA-N
XLogP0.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-t-Butyl-2h-pyridazin-3-one
CID 12778309
2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
Trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746486
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
2-Butylpyridazin-3-one
CID 12758395
2-tert-Butyl-5-methyl-2,3-dihydropyridazin-3-one
CID 12778310
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-Ethylpyridazin-3-one
CID 21479093

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 5-methyl-2-prop-2-enylpyridazin-3-one (CID 130677854) is 5-methyl-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 5-methyl-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 5-methyl-2-prop-2-enylpyridazin-3-one is C=CCn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-prop-2-enylpyridazin-3-one?
The InChIKey is YLGIHXULCORTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-4-10-8(11)5-7(2)6-9-10/h3,5-6H,1,4H2,2H3.
What are the key properties of 5-methyl-2-prop-2-enylpyridazin-3-one?
5-methyl-2-prop-2-enylpyridazin-3-one has a molecular weight of 150.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 130677854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).