4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one

C11H16N2O2 — CID 86262222

IUPAC4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one
SMILESCc1cc(OCC2CNC2)cc(=O)n1C
InChIInChI=1S/C11H16N2O2/c1-8-3-10(4-11(14)13(8)2)15-7-9-5-12-6-9/h3-4,9,12H,5-7H2,1-2H3
InChIKeySUYLVQVKVPTTPX-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.29
Rot. Bonds3

About 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one

4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one (PubChem CID 86262222) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one
PubChem CID86262222
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one
SMILESCc1cc(OCC2CNC2)cc(=O)n1C
InChIInChI=1S/C11H16N2O2/c1-8-3-10(4-11(14)13(8)2)15-7-9-5-12-6-9/h3-4,9,12H,5-7H2,1-2H3
InChIKeySUYLVQVKVPTTPX-UHFFFAOYSA-N
XLogP0.29
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one (CID 86262222) is 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one is Cc1cc(OCC2CNC2)cc(=O)n1C.
What is the InChIKey of 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one?
The InChIKey is SUYLVQVKVPTTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-3-10(4-11(14)13(8)2)15-7-9-5-12-6-9/h3-4,9,12H,5-7H2,1-2H3.
What are the key properties of 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one?
4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethoxy)-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86262222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).