4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one

C15H18N2O3S — CID 70436478

IUPAC4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(=Cc1ccc(S(C)(=O)=O)cc1)C1=NNC(=O)CC1C
InChIInChI=1S/C15H18N2O3S/c1-10(15-11(2)9-14(18)16-17-15)8-12-4-6-13(7-5-12)21(3,19)20/h4-8,11H,9H2,1-3H3,(H,16,18)
InChIKeySUPGWDUWSXSLRD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.01
Rot. Bonds3

About 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one

4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 70436478) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID70436478
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(=Cc1ccc(S(C)(=O)=O)cc1)C1=NNC(=O)CC1C
InChIInChI=1S/C15H18N2O3S/c1-10(15-11(2)9-14(18)16-17-15)8-12-4-6-13(7-5-12)21(3,19)20/h4-8,11H,9H2,1-3H3,(H,16,18)
InChIKeySUPGWDUWSXSLRD-UHFFFAOYSA-N
XLogP2.01
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 70436478) is 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one is CC(=Cc1ccc(S(C)(=O)=O)cc1)C1=NNC(=O)CC1C.
What is the InChIKey of 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SUPGWDUWSXSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(15-11(2)9-14(18)16-17-15)8-12-4-6-13(7-5-12)21(3,19)20/h4-8,11H,9H2,1-3H3,(H,16,18).
What are the key properties of 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one?
4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 306.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 70436478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).