5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one

C17H20N2O2 — CID 118938049

IUPAC5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one
SMILESC=C(OCC)c1cc(=O)n(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-5-21-13(4)15-11-16(20)19(12(2)3)18-17(15)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyOSAWXNHUOIBUBV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.50
Rot. Bonds5

About 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one

5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one (PubChem CID 118938049) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one
PubChem CID118938049
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one
SMILESC=C(OCC)c1cc(=O)n(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-5-21-13(4)15-11-16(20)19(12(2)3)18-17(15)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyOSAWXNHUOIBUBV-UHFFFAOYSA-N
XLogP3.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-6-phenyl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one (CID 118938049) is 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one is C=C(OCC)c1cc(=O)n(C(C)C)nc1-c1ccccc1.
What is the InChIKey of 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one?
The InChIKey is OSAWXNHUOIBUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-5-21-13(4)15-11-16(20)19(12(2)3)18-17(15)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one?
5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one has a molecular weight of 284.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 118938049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).