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

C7H10N2O — CID 68571343

IUPAC3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC=CCC1=NNC(=O)CC1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-5-7(10)9-8-6/h2H,1,3-5H2,(H,9,10)
InChIKeyOZWCULMQEAPUFJ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.83
Rot. Bonds2

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

3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 68571343) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID68571343
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC=CCC1=NNC(=O)CC1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-5-7(10)9-8-6/h2H,1,3-5H2,(H,9,10)
InChIKeyOZWCULMQEAPUFJ-UHFFFAOYSA-N
XLogP0.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.83
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-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one (CID 68571343) is 3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one is C=CCC1=NNC(=O)CC1.
What is the InChIKey of 3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OZWCULMQEAPUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6-4-5-7(10)9-8-6/h2H,1,3-5H2,(H,9,10).
What are the key properties of 3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 68571343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).