4-phenoxyazetidin-2-one

C9H9NO2 — CID 14054149

IUPAC4-phenoxyazetidin-2-one
SMILESO=C1CC(Oc2ccccc2)N1
InChIInChI=1S/C9H9NO2/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyCQOXWATVSJPLQB-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.91
Rot. Bonds2

About 4-phenoxyazetidin-2-one

4-phenoxyazetidin-2-one (PubChem CID 14054149) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-phenoxyazetidin-2-one.

Molecular Properties

Compound Name4-phenoxyazetidin-2-one
PubChem CID14054149
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-phenoxyazetidin-2-one
SMILESO=C1CC(Oc2ccccc2)N1
InChIInChI=1S/C9H9NO2/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyCQOXWATVSJPLQB-UHFFFAOYSA-N
XLogP0.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxyazetidin-2-one?
The IUPAC name of 4-phenoxyazetidin-2-one (CID 14054149) is 4-phenoxyazetidin-2-one.
What is the SMILES notation for 4-phenoxyazetidin-2-one?
The canonical SMILES for 4-phenoxyazetidin-2-one is O=C1CC(Oc2ccccc2)N1.
What is the InChIKey of 4-phenoxyazetidin-2-one?
The InChIKey is CQOXWATVSJPLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11).
What are the key properties of 4-phenoxyazetidin-2-one?
4-phenoxyazetidin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxyazetidin-2-one is sourced from PubChem (CID 14054149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).