5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one

C19H22N2O3 — CID 118938030

IUPAC5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one
SMILESC=C(OCC)c1cc(=O)n(C2CCCCO2)nc1-c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-3-23-14(2)16-13-17(22)21(18-11-7-8-12-24-18)20-19(16)15-9-5-4-6-10-15/h4-6,9-10,13,18H,2-3,7-8,11-12H2,1H3
InChIKeyAULUTKLCLVLKEE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.62
Rot. Bonds5

About 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one

5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one (PubChem CID 118938030) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one
PubChem CID118938030
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one
SMILESC=C(OCC)c1cc(=O)n(C2CCCCO2)nc1-c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-3-23-14(2)16-13-17(22)21(18-11-7-8-12-24-18)20-19(16)15-9-5-4-6-10-15/h4-6,9-10,13,18H,2-3,7-8,11-12H2,1H3
InChIKeyAULUTKLCLVLKEE-UHFFFAOYSA-N
XLogP3.62
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one?
The IUPAC name of 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one (CID 118938030) is 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one?
The canonical SMILES for 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one is C=C(OCC)c1cc(=O)n(C2CCCCO2)nc1-c1ccccc1.
What is the InChIKey of 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one?
The InChIKey is AULUTKLCLVLKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-23-14(2)16-13-17(22)21(18-11-7-8-12-24-18)20-19(16)15-9-5-4-6-10-15/h4-6,9-10,13,18H,2-3,7-8,11-12H2,1H3.
What are the key properties of 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one?
5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one has a molecular weight of 326.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-2-(oxan-2-yl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 118938030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).