2-(2-methylprop-2-enyl)pyridazin-3-one

C8H10N2O — CID 89140353

IUPAC2-(2-methylprop-2-enyl)pyridazin-3-one
SMILESC=C(C)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O/c1-7(2)6-10-8(11)4-3-5-9-10/h3-5H,1,6H2,2H3
InChIKeyAOOZVNOSKKJJMV-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.82
Rot. Bonds2

About 2-(2-methylprop-2-enyl)pyridazin-3-one

2-(2-methylprop-2-enyl)pyridazin-3-one (PubChem CID 89140353) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)pyridazin-3-one
PubChem CID89140353
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(2-methylprop-2-enyl)pyridazin-3-one
SMILESC=C(C)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O/c1-7(2)6-10-8(11)4-3-5-9-10/h3-5H,1,6H2,2H3
InChIKeyAOOZVNOSKKJJMV-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)pyridazin-3-one?
The IUPAC name of 2-(2-methylprop-2-enyl)pyridazin-3-one (CID 89140353) is 2-(2-methylprop-2-enyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-methylprop-2-enyl)pyridazin-3-one?
The canonical SMILES for 2-(2-methylprop-2-enyl)pyridazin-3-one is C=C(C)Cn1ncccc1=O.
What is the InChIKey of 2-(2-methylprop-2-enyl)pyridazin-3-one?
The InChIKey is AOOZVNOSKKJJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(2)6-10-8(11)4-3-5-9-10/h3-5H,1,6H2,2H3.
What are the key properties of 2-(2-methylprop-2-enyl)pyridazin-3-one?
2-(2-methylprop-2-enyl)pyridazin-3-one has a molecular weight of 150.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)pyridazin-3-one is sourced from PubChem (CID 89140353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).