3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one

C8H12N2O — CID 13295914

IUPAC3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC=CCC1CC(C)=NNC1=O
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-6(2)9-10-8(7)11/h3,7H,1,4-5H2,2H3,(H,10,11)
InChIKeyGPZWZRHWOZYNKU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.07
Rot. Bonds2

About 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one

3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 13295914) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID13295914
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC=CCC1CC(C)=NNC1=O
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-6(2)9-10-8(7)11/h3,7H,1,4-5H2,2H3,(H,10,11)
InChIKeyGPZWZRHWOZYNKU-UHFFFAOYSA-N
XLogP1.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one (CID 13295914) is 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one is C=CCC1CC(C)=NNC1=O.
What is the InChIKey of 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GPZWZRHWOZYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-7-5-6(2)9-10-8(7)11/h3,7H,1,4-5H2,2H3,(H,10,11).
What are the key properties of 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 152.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 13295914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).