4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

C15H22N2O3 — CID 86265531

IUPAC4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)C(C)(C)C)C2)cc(=O)n1C
InChIInChI=1S/C15H22N2O3/c1-10-6-11(7-13(18)16(10)5)20-12-8-17(9-12)14(19)15(2,3)4/h6-7,12H,8-9H2,1-5H3
InChIKeyHPSJVWPIACUKOZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds2

About 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265531) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265531
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)C(C)(C)C)C2)cc(=O)n1C
InChIInChI=1S/C15H22N2O3/c1-10-6-11(7-13(18)16(10)5)20-12-8-17(9-12)14(19)15(2,3)4/h6-7,12H,8-9H2,1-5H3
InChIKeyHPSJVWPIACUKOZ-UHFFFAOYSA-N
XLogP1.33
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265531) is 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CN(C(=O)C(C)(C)C)C2)cc(=O)n1C.
What is the InChIKey of 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is HPSJVWPIACUKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-6-11(7-13(18)16(10)5)20-12-8-17(9-12)14(19)15(2,3)4/h6-7,12H,8-9H2,1-5H3.
What are the key properties of 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).