3,3-dimethyl-4-phenoxyazetidin-2-one

C11H13NO2 — CID 19877425

IUPAC3,3-dimethyl-4-phenoxyazetidin-2-one
SMILESCC1(C)C(=O)NC1Oc1ccccc1
InChIInChI=1S/C11H13NO2/c1-11(2)9(13)12-10(11)14-8-6-4-3-5-7-8/h3-7,10H,1-2H3,(H,12,13)
InChIKeyZOPLJXOXQYIPID-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.55
Rot. Bonds2

About 3,3-dimethyl-4-phenoxyazetidin-2-one

3,3-dimethyl-4-phenoxyazetidin-2-one (PubChem CID 19877425) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,3-dimethyl-4-phenoxyazetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-phenoxyazetidin-2-one
PubChem CID19877425
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3,3-dimethyl-4-phenoxyazetidin-2-one
SMILESCC1(C)C(=O)NC1Oc1ccccc1
InChIInChI=1S/C11H13NO2/c1-11(2)9(13)12-10(11)14-8-6-4-3-5-7-8/h3-7,10H,1-2H3,(H,12,13)
InChIKeyZOPLJXOXQYIPID-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-phenoxyazetidin-2-one?
The IUPAC name of 3,3-dimethyl-4-phenoxyazetidin-2-one (CID 19877425) is 3,3-dimethyl-4-phenoxyazetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-phenoxyazetidin-2-one?
The canonical SMILES for 3,3-dimethyl-4-phenoxyazetidin-2-one is CC1(C)C(=O)NC1Oc1ccccc1.
What is the InChIKey of 3,3-dimethyl-4-phenoxyazetidin-2-one?
The InChIKey is ZOPLJXOXQYIPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)9(13)12-10(11)14-8-6-4-3-5-7-8/h3-7,10H,1-2H3,(H,12,13).
What are the key properties of 3,3-dimethyl-4-phenoxyazetidin-2-one?
3,3-dimethyl-4-phenoxyazetidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-phenoxyazetidin-2-one is sourced from PubChem (CID 19877425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).