(3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate

C9H15NO4 — CID 139747689

IUPAC(3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate
SMILESCCC1(CC)C(=O)NC1OOC(C)=O
InChIInChI=1S/C9H15NO4/c1-4-9(5-2)7(12)10-8(9)14-13-6(3)11/h8H,4-5H2,1-3H3,(H,10,12)
InChIKeySQOAXDBYNHRVJZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.74
Rot. Bonds4

About (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate

(3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate (PubChem CID 139747689) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate.

Molecular Properties

Compound Name(3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate
PubChem CID139747689
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate
SMILESCCC1(CC)C(=O)NC1OOC(C)=O
InChIInChI=1S/C9H15NO4/c1-4-9(5-2)7(12)10-8(9)14-13-6(3)11/h8H,4-5H2,1-3H3,(H,10,12)
InChIKeySQOAXDBYNHRVJZ-UHFFFAOYSA-N
XLogP0.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
CID 59064357
(4R)-3,3-diethyl-4-pyridin-3-yloxyazetidin-2-one
CID 129368488
4-[4-[(2S)-3,3-diethyl-4-oxoazetidin-2-yl]oxyphenyl]-4-oxobutanenitrile
CID 70068695
acetyl butaneperoxoate;3,3-dimethylaziridin-2-one
CID 126720932
acetyl butaneperoxoate;aziridin-2-one
CID 126720861
[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate
CID 71408042
acetyl ethaneperoxoate;propan-2-one
CID 21225532
acetyl ethaneperoxoate;rhodium
CID 175911498
[3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate
CID 67963797
ethyl 4-acetyl-3-hydroxy-2,5-dioxopyrrolidine-3-carboxylate
CID 102129146
[2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate
CID 14411692
(2,5-diethyloxan-2-yl)methyl acetate
CID 3020670

Frequently Asked Questions

What is the IUPAC name of (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate?
The IUPAC name of (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate (CID 139747689) is (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate.
What is the SMILES notation for (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate?
The canonical SMILES for (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate is CCC1(CC)C(=O)NC1OOC(C)=O.
What is the InChIKey of (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate?
The InChIKey is SQOAXDBYNHRVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-9(5-2)7(12)10-8(9)14-13-6(3)11/h8H,4-5H2,1-3H3,(H,10,12).
What are the key properties of (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate?
(3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate has a molecular weight of 201.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate is sourced from PubChem (CID 139747689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).