3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one

C14H16N2O2 — CID 1471677

IUPAC3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCOc1ccc(/C=C/C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-18-13-8-4-11(5-9-13)3-6-12-7-10-14(17)16-15-12/h3-6,8-9H,2,7,10H2,1H3,(H,16,17)/b6-3+
InChIKeyGOELFBPBOGNXBV-ZZXKWVIFSA-N
MW244.29 g/mol
LogP2.36
Rot. Bonds4

About 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 1471677) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID1471677
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCOc1ccc(/C=C/C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-18-13-8-4-11(5-9-13)3-6-12-7-10-14(17)16-15-12/h3-6,8-9H,2,7,10H2,1H3,(H,16,17)/b6-3+
InChIKeyGOELFBPBOGNXBV-ZZXKWVIFSA-N
XLogP2.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 1471677) is 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one is CCOc1ccc(/C=C/C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GOELFBPBOGNXBV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-13-8-4-11(5-9-13)3-6-12-7-10-14(17)16-15-12/h3-6,8-9H,2,7,10H2,1H3,(H,16,17)/b6-3+.
What are the key properties of 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 1471677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).