(3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one

C13H19N3O2 — CID 102056076

IUPAC(3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one
SMILESCN(C)NN1C(=O)[C@@H](Oc2ccccc2)C1(C)C
InChIInChI=1S/C13H19N3O2/c1-13(2)11(12(17)16(13)14-15(3)4)18-10-8-6-5-7-9-10/h5-9,11,14H,1-4H3/t11-/m1/s1
InChIKeyMWTCQRSINSGOOO-LLVKDONJSA-N
MW249.31 g/mol
LogP1.04
Rot. Bonds4

About (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one

(3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one (PubChem CID 102056076) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one
PubChem CID102056076
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one
SMILESCN(C)NN1C(=O)[C@@H](Oc2ccccc2)C1(C)C
InChIInChI=1S/C13H19N3O2/c1-13(2)11(12(17)16(13)14-15(3)4)18-10-8-6-5-7-9-10/h5-9,11,14H,1-4H3/t11-/m1/s1
InChIKeyMWTCQRSINSGOOO-LLVKDONJSA-N
XLogP1.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one?
The IUPAC name of (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one (CID 102056076) is (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one.
What is the SMILES notation for (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one?
The canonical SMILES for (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one is CN(C)NN1C(=O)[C@@H](Oc2ccccc2)C1(C)C.
What is the InChIKey of (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one?
The InChIKey is MWTCQRSINSGOOO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)11(12(17)16(13)14-15(3)4)18-10-8-6-5-7-9-10/h5-9,11,14H,1-4H3/t11-/m1/s1.
What are the key properties of (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one?
(3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethylhydrazinyl)-4,4-dimethyl-3-phenoxyazetidin-2-one is sourced from PubChem (CID 102056076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).