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

C13H14N2O — CID 70523161

IUPAC3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC=CCC1CC(=O)NN=C1c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-6-11-9-12(16)14-15-13(11)10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,14,16)
InChIKeySUTOXFHTULBCMC-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.10
Rot. Bonds3

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

3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 70523161) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID70523161
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC=CCC1CC(=O)NN=C1c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-6-11-9-12(16)14-15-13(11)10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,14,16)
InChIKeySUTOXFHTULBCMC-UHFFFAOYSA-N
XLogP2.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.10
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-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one (CID 70523161) is 3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one is C=CCC1CC(=O)NN=C1c1ccccc1.
What is the InChIKey of 3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SUTOXFHTULBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-6-11-9-12(16)14-15-13(11)10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,14,16).
What are the key properties of 3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one?
3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 214.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 70523161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).