5-methyl-2-(5-oxohexyl)pyridazin-3-one

C11H16N2O2 — CID 106548765

IUPAC5-methyl-2-(5-oxohexyl)pyridazin-3-one
SMILESCC(=O)CCCCn1ncc(C)cc1=O
InChIInChI=1S/C11H16N2O2/c1-9-7-11(15)13(12-8-9)6-4-3-5-10(2)14/h7-8H,3-6H2,1-2H3
InChIKeyALHKCKWXXUXLIO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.31
Rot. Bonds5

About 5-methyl-2-(5-oxohexyl)pyridazin-3-one

5-methyl-2-(5-oxohexyl)pyridazin-3-one (PubChem CID 106548765) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methyl-2-(5-oxohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(5-oxohexyl)pyridazin-3-one
PubChem CID106548765
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-methyl-2-(5-oxohexyl)pyridazin-3-one
SMILESCC(=O)CCCCn1ncc(C)cc1=O
InChIInChI=1S/C11H16N2O2/c1-9-7-11(15)13(12-8-9)6-4-3-5-10(2)14/h7-8H,3-6H2,1-2H3
InChIKeyALHKCKWXXUXLIO-UHFFFAOYSA-N
XLogP1.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-oxohexyl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(5-oxohexyl)pyridazin-3-one (CID 106548765) is 5-methyl-2-(5-oxohexyl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(5-oxohexyl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(5-oxohexyl)pyridazin-3-one is CC(=O)CCCCn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-(5-oxohexyl)pyridazin-3-one?
The InChIKey is ALHKCKWXXUXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-7-11(15)13(12-8-9)6-4-3-5-10(2)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-(5-oxohexyl)pyridazin-3-one?
5-methyl-2-(5-oxohexyl)pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-oxohexyl)pyridazin-3-one is sourced from PubChem (CID 106548765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).