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

C13H14N2O — CID 1472188

IUPAC2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(/C=C/c2ccccc2)CCC1=O
InChIInChI=1S/C13H14N2O/c1-15-13(16)10-9-12(14-15)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyALNKXYSIOOSXLW-BQYQJAHWSA-N
MW214.27 g/mol
LogP2.31
Rot. Bonds2

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

2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (PubChem CID 1472188) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
PubChem CID1472188
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(/C=C/c2ccccc2)CCC1=O
InChIInChI=1S/C13H14N2O/c1-15-13(16)10-9-12(14-15)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyALNKXYSIOOSXLW-BQYQJAHWSA-N
XLogP2.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one (CID 1472188) is 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is CN1N=C(/C=C/c2ccccc2)CCC1=O.
What is the InChIKey of 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is ALNKXYSIOOSXLW-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-13(16)10-9-12(14-15)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+.
What are the key properties of 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 214.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1472188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).