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

C14H21NOSi — CID 10800536

IUPAC(3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one
SMILESC[C@@H]([C@@H]1CN(C)C1=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H21NOSi/c1-11(13-10-15(2)14(13)16)17(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13-/m0/s1
InChIKeyAOUFDGDDCLXESD-AAEUAGOBSA-N
MW247.41 g/mol
LogP2.08
Rot. Bonds3

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

(3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one (PubChem CID 10800536) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one
PubChem CID10800536
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name(3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one
SMILESC[C@@H]([C@@H]1CN(C)C1=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H21NOSi/c1-11(13-10-15(2)14(13)16)17(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13-/m0/s1
InChIKeyAOUFDGDDCLXESD-AAEUAGOBSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone
CID 10612466
6-[dimethyl(phenyl)silyl]-N,N-diethylhept-6-enamide
CID 86003269
(E)-7-[dimethyl(phenyl)silyl]-N,N-diethylhept-6-enamide
CID 134999553
(E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide
CID 135005470
1-[2-[Dimethyl(phenyl)silyl]ethyl]pyrrolidin-2-one
CID 162408048
N,N,2-trimethyl-4-triphenylsilylbutanamide
CID 162410973
4-[dimethyl(phenyl)silyl]-N,N-dimethylpentanamide
CID 176435223
1-Benzyl-3-ethyl-4-trimethylsilylazetidin-2-one
CID 139699939
3-Tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one
CID 173409999
(3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one
CID 10106740
(3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one
CID 10561637
(2S,3R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-4-oxoazetidine-1-sulfonyl chloride
CID 10616535

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one?
The IUPAC name of (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one (CID 10800536) is (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one.
What is the SMILES notation for (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one?
The canonical SMILES for (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one is C[C@@H]([C@@H]1CN(C)C1=O)[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one?
The InChIKey is AOUFDGDDCLXESD-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-11(13-10-15(2)14(13)16)17(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one?
(3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one has a molecular weight of 247.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one is sourced from PubChem (CID 10800536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).