6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one

C15H16N2O — CID 1472190

IUPAC6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
SMILESC=CCN1N=C(/C=C/c2ccccc2)CCC1=O
InChIInChI=1S/C15H16N2O/c1-2-12-17-15(18)11-10-14(16-17)9-8-13-6-4-3-5-7-13/h2-9H,1,10-12H2/b9-8+
InChIKeyPDPWYHQARMDUBQ-CMDGGOBGSA-N
MW240.31 g/mol
LogP2.86
Rot. Bonds4

About 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one

6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one (PubChem CID 1472190) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
PubChem CID1472190
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
SMILESC=CCN1N=C(/C=C/c2ccccc2)CCC1=O
InChIInChI=1S/C15H16N2O/c1-2-12-17-15(18)11-10-14(16-17)9-8-13-6-4-3-5-7-13/h2-9H,1,10-12H2/b9-8+
InChIKeyPDPWYHQARMDUBQ-CMDGGOBGSA-N
XLogP2.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3-methyl-2-pyrazolin-5-one
CID 70349
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
6-Methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 2800008
N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
Cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703599
1(6H)-Pyridazinepropanenitrile, 6-oxo-3-phenyl-
CID 4147009
1-(5-Phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 4026325
4,5-Dihydro-(1H)-pyrazole derivative, 3b
CID 11521279
2-benzyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472186
2-methyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472188
2-methyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475355

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one (CID 1472190) is 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one is C=CCN1N=C(/C=C/c2ccccc2)CCC1=O.
What is the InChIKey of 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The InChIKey is PDPWYHQARMDUBQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-12-17-15(18)11-10-14(16-17)9-8-13-6-4-3-5-7-13/h2-9H,1,10-12H2/b9-8+.
What are the key properties of 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one has a molecular weight of 240.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-phenylethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1472190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).