2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione

C8H10N2O2 — CID 46299433

IUPAC2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione
SMILESC=C(C)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N2O2/c1-6(2)5-10-8(12)4-3-7(11)9-10/h3-4H,1,5H2,2H3,(H,9,11)
InChIKeyLHPSYBCLKLYVTD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.11
Rot. Bonds2

About 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione

2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione (PubChem CID 46299433) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione
PubChem CID46299433
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione
SMILESC=C(C)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N2O2/c1-6(2)5-10-8(12)4-3-7(11)9-10/h3-4H,1,5H2,2H3,(H,9,11)
InChIKeyLHPSYBCLKLYVTD-UHFFFAOYSA-N
XLogP0.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
2,5-dimethyl-1H-pyridazine-3,6-dione
CID 12200172
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
CID 587202
1-(2-Methylbut-2-enoyl)pyrazolidin-3-one
CID 90768551
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
N-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 20772294
2-Methyl-1,6-dihydropyridazin-3-one
CID 57672228
2-Tert-butyl-1,6-dihydropyridazin-3-one
CID 57672233
2-(2-oxopropyl)-1H-pyridazine-3,6-dione
CID 58815500

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione (CID 46299433) is 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione is C=C(C)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione?
The InChIKey is LHPSYBCLKLYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(2)5-10-8(12)4-3-7(11)9-10/h3-4H,1,5H2,2H3,(H,9,11).
What are the key properties of 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione?
2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione has a molecular weight of 166.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 46299433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).