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

C19H18N2O — CID 1472186

IUPAC2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c22-19-14-13-18(12-11-16-7-3-1-4-8-16)20-21(19)15-17-9-5-2-6-10-17/h1-12H,13-15H2/b12-11+
InChIKeyNNGYRMMDKVLAOO-VAWYXSNFSA-N
MW290.37 g/mol
LogP3.88
Rot. Bonds4

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

2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (PubChem CID 1472186) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
PubChem CID1472186
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c22-19-14-13-18(12-11-16-7-3-1-4-8-16)20-21(19)15-17-9-5-2-6-10-17/h1-12H,13-15H2/b12-11+
InChIKeyNNGYRMMDKVLAOO-VAWYXSNFSA-N
XLogP3.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (CID 1472186) is 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is O=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is NNGYRMMDKVLAOO-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19-14-13-18(12-11-16-7-3-1-4-8-16)20-21(19)15-17-9-5-2-6-10-17/h1-12H,13-15H2/b12-11+.
What are the key properties of 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1472186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).