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

C16H18N2O — CID 1475372

IUPAC6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
SMILESC=CCN1N=C(/C=C/c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C16H18N2O/c1-3-12-18-16(19)11-10-15(17-18)9-8-14-6-4-13(2)5-7-14/h3-9H,1,10-12H2,2H3/b9-8+
InChIKeyOLNUVUWYKHXCQP-CMDGGOBGSA-N
MW254.33 g/mol
LogP3.17
Rot. Bonds4

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

6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one (PubChem CID 1475372) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
PubChem CID1475372
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
SMILESC=CCN1N=C(/C=C/c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C16H18N2O/c1-3-12-18-16(19)11-10-15(17-18)9-8-14-6-4-13(2)5-7-14/h3-9H,1,10-12H2,2H3/b9-8+
InChIKeyOLNUVUWYKHXCQP-CMDGGOBGSA-N
XLogP3.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.17
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
6-phenyl-2-(4-vinylbenzyl)pyridazin-3(2H)-one
CID 23608995
2-Methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one
CID 44539969
2-methyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
CID 44539973
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

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one (CID 1475372) is 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one is C=CCN1N=C(/C=C/c2ccc(C)cc2)CCC1=O.
What is the InChIKey of 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The InChIKey is OLNUVUWYKHXCQP-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-18-16(19)11-10-15(17-18)9-8-14-6-4-13(2)5-7-14/h3-9H,1,10-12H2,2H3/b9-8+.
What are the key properties of 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one has a molecular weight of 254.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1475372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).