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

C20H20N2O — CID 1471699

IUPAC2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1CN1N=C(/C=C/c2ccccc2)CCC1=O
InChIInChI=1S/C20H20N2O/c1-16-7-5-6-10-18(16)15-22-20(23)14-13-19(21-22)12-11-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3/b12-11+
InChIKeyNLQGEDUOIDHOII-VAWYXSNFSA-N
MW304.39 g/mol
LogP4.19
Rot. Bonds4

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

2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (PubChem CID 1471699) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
PubChem CID1471699
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1CN1N=C(/C=C/c2ccccc2)CCC1=O
InChIInChI=1S/C20H20N2O/c1-16-7-5-6-10-18(16)15-22-20(23)14-13-19(21-22)12-11-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3/b12-11+
InChIKeyNLQGEDUOIDHOII-VAWYXSNFSA-N
XLogP4.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (CID 1471699) is 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is Cc1ccccc1CN1N=C(/C=C/c2ccccc2)CCC1=O.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is NLQGEDUOIDHOII-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20N2O/c1-16-7-5-6-10-18(16)15-22-20(23)14-13-19(21-22)12-11-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3/b12-11+.
What are the key properties of 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 304.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1471699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).