3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one

C15H18N2O — CID 1471687

IUPAC3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)c1ccc(/C=C/C2=NNC(=O)CC2)cc1
InChIInChI=1S/C15H18N2O/c1-11(2)13-6-3-12(4-7-13)5-8-14-9-10-15(18)17-16-14/h3-8,11H,9-10H2,1-2H3,(H,17,18)/b8-5+
InChIKeyWXUVHMUASUDVKR-VMPITWQZSA-N
MW242.32 g/mol
LogP3.09
Rot. Bonds3

About 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 1471687) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID1471687
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)c1ccc(/C=C/C2=NNC(=O)CC2)cc1
InChIInChI=1S/C15H18N2O/c1-11(2)13-6-3-12(4-7-13)5-8-14-9-10-15(18)17-16-14/h3-8,11H,9-10H2,1-2H3,(H,17,18)/b8-5+
InChIKeyWXUVHMUASUDVKR-VMPITWQZSA-N
XLogP3.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 1471687) is 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one is CC(C)c1ccc(/C=C/C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is WXUVHMUASUDVKR-VMPITWQZSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)13-6-3-12(4-7-13)5-8-14-9-10-15(18)17-16-14/h3-8,11H,9-10H2,1-2H3,(H,17,18)/b8-5+.
What are the key properties of 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 242.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 1471687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).