6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one

C11H16N2O2 — CID 95562230

IUPAC6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one
SMILESCCC[C@H](C(C)=O)n1nc(C)ccc1=O
InChIInChI=1S/C11H16N2O2/c1-4-5-10(9(3)14)13-11(15)7-6-8(2)12-13/h6-7,10H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyAIYOWRCRUHEWTJ-SNVBAGLBSA-N
MW208.26 g/mol
LogP1.48
Rot. Bonds4

About 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one

6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one (PubChem CID 95562230) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one
PubChem CID95562230
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one
SMILESCCC[C@H](C(C)=O)n1nc(C)ccc1=O
InChIInChI=1S/C11H16N2O2/c1-4-5-10(9(3)14)13-11(15)7-6-8(2)12-13/h6-7,10H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyAIYOWRCRUHEWTJ-SNVBAGLBSA-N
XLogP1.48
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one (CID 95562230) is 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one is CCC[C@H](C(C)=O)n1nc(C)ccc1=O.
What is the InChIKey of 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one?
The InChIKey is AIYOWRCRUHEWTJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-5-10(9(3)14)13-11(15)7-6-8(2)12-13/h6-7,10H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one?
6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3R)-2-oxohexan-3-yl]pyridazin-3-one is sourced from PubChem (CID 95562230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).