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

C16H18N2O2 — CID 1475385

IUPAC6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
SMILESC=CCN1N=C(/C=C/c2ccc(OC)cc2)CCC1=O
InChIInChI=1S/C16H18N2O2/c1-3-12-18-16(19)11-8-14(17-18)7-4-13-5-9-15(20-2)10-6-13/h3-7,9-10H,1,8,11-12H2,2H3/b7-4+
InChIKeyCGJNSCLEVFRBJB-QPJJXVBHSA-N
MW270.33 g/mol
LogP2.87
Rot. Bonds5

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

6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one (PubChem CID 1475385) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
PubChem CID1475385
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one
SMILESC=CCN1N=C(/C=C/c2ccc(OC)cc2)CCC1=O
InChIInChI=1S/C16H18N2O2/c1-3-12-18-16(19)11-8-14(17-18)7-4-13-5-9-15(20-2)10-6-13/h3-7,9-10H,1,8,11-12H2,2H3/b7-4+
InChIKeyCGJNSCLEVFRBJB-QPJJXVBHSA-N
XLogP2.87
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one (CID 1475385) is 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one is C=CCN1N=C(/C=C/c2ccc(OC)cc2)CCC1=O.
What is the InChIKey of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
The InChIKey is CGJNSCLEVFRBJB-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-12-18-16(19)11-8-14(17-18)7-4-13-5-9-15(20-2)10-6-13/h3-7,9-10H,1,8,11-12H2,2H3/b7-4+.
What are the key properties of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one?
6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one has a molecular weight of 270.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-prop-2-enyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1475385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).