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

C15H18N2O2 — CID 70437131

IUPAC3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cccc(C=C(C)C2=NNC(=O)CC2C)c1
InChIInChI=1S/C15H18N2O2/c1-10(15-11(2)8-14(18)16-17-15)7-12-5-4-6-13(9-12)19-3/h4-7,9,11H,8H2,1-3H3,(H,16,18)
InChIKeyAHXKHPIHZCTZNL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.61
Rot. Bonds3

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

3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 70437131) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID70437131
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cccc(C=C(C)C2=NNC(=O)CC2C)c1
InChIInChI=1S/C15H18N2O2/c1-10(15-11(2)8-14(18)16-17-15)7-12-5-4-6-13(9-12)19-3/h4-7,9,11H,8H2,1-3H3,(H,16,18)
InChIKeyAHXKHPIHZCTZNL-UHFFFAOYSA-N
XLogP2.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 70437131) is 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1cccc(C=C(C)C2=NNC(=O)CC2C)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is AHXKHPIHZCTZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(15-11(2)8-14(18)16-17-15)7-12-5-4-6-13(9-12)19-3/h4-7,9,11H,8H2,1-3H3,(H,16,18).
What are the key properties of 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 70437131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).