(4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one

C12H16N2O2 — CID 129368488

IUPAC(4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one
SMILESCCC1(CC)C(=O)N[C@@H]1Oc1cccnc1
InChIInChI=1S/C12H16N2O2/c1-3-12(4-2)10(15)14-11(12)16-9-6-5-7-13-8-9/h5-8,11H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyDXHRZUNKMISPPU-LLVKDONJSA-N
MW220.27 g/mol
LogP1.72
Rot. Bonds4

About (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one

(4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one (PubChem CID 129368488) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one.

Molecular Properties

Compound Name(4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one
PubChem CID129368488
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one
SMILESCCC1(CC)C(=O)N[C@@H]1Oc1cccnc1
InChIInChI=1S/C12H16N2O2/c1-3-12(4-2)10(15)14-11(12)16-9-6-5-7-13-8-9/h5-8,11H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyDXHRZUNKMISPPU-LLVKDONJSA-N
XLogP1.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one?
The IUPAC name of (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one (CID 129368488) is (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one.
What is the SMILES notation for (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one?
The canonical SMILES for (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one is CCC1(CC)C(=O)N[C@@H]1Oc1cccnc1.
What is the InChIKey of (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one?
The InChIKey is DXHRZUNKMISPPU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-12(4-2)10(15)14-11(12)16-9-6-5-7-13-8-9/h5-8,11H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one?
(4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one is sourced from PubChem (CID 129368488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).