(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one

C14H21NOSi — CID 10729183

IUPAC(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one
SMILESC[C@@H]1NC(=O)[C@@H]1[C@H](C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H21NOSi/c1-10-13(14(16)15-10)11(2)17(3,4)12-8-6-5-7-9-12/h5-11,13H,1-4H3,(H,15,16)/t10-,11-,13-/m0/s1
InChIKeyBWTSDTAAWAGURX-GVXVVHGQSA-N
MW247.41 g/mol
LogP2.13
Rot. Bonds3

About (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one

(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one (PubChem CID 10729183) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one
PubChem CID10729183
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one
SMILESC[C@@H]1NC(=O)[C@@H]1[C@H](C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H21NOSi/c1-10-13(14(16)15-10)11(2)17(3,4)12-8-6-5-7-9-12/h5-11,13H,1-4H3,(H,15,16)/t10-,11-,13-/m0/s1
InChIKeyBWTSDTAAWAGURX-GVXVVHGQSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one?
The IUPAC name of (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one (CID 10729183) is (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one is C[C@@H]1NC(=O)[C@@H]1[C@H](C)[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one?
The InChIKey is BWTSDTAAWAGURX-GVXVVHGQSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-10-13(14(16)15-10)11(2)17(3,4)12-8-6-5-7-9-12/h5-11,13H,1-4H3,(H,15,16)/t10-,11-,13-/m0/s1.
What are the key properties of (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one?
(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one has a molecular weight of 247.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-methylazetidin-2-one is sourced from PubChem (CID 10729183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).