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

C13H19NOSi — CID 10561637

IUPAC(3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one
SMILESC[C@H]1C(=O)N[C@@H]1C[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H19NOSi/c1-10-12(14-13(10)15)9-16(2,3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15)/t10-,12-/m1/s1
InChIKeyQVBKOXBPMHCTPK-ZYHUDNBSSA-N
MW233.39 g/mol
LogP1.74
Rot. Bonds3

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

(3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one (PubChem CID 10561637) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is (3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one
PubChem CID10561637
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name(3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one
SMILESC[C@H]1C(=O)N[C@@H]1C[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H19NOSi/c1-10-12(14-13(10)15)9-16(2,3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15)/t10-,12-/m1/s1
InChIKeyQVBKOXBPMHCTPK-ZYHUDNBSSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 51.74
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)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one?
The IUPAC name of (3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one (CID 10561637) is (3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one is C[C@H]1C(=O)N[C@@H]1C[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one?
The InChIKey is QVBKOXBPMHCTPK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-10-12(14-13(10)15)9-16(2,3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15)/t10-,12-/m1/s1.
What are the key properties of (3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one?
(3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one has a molecular weight of 233.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[[dimethyl(phenyl)silyl]methyl]-3-methylazetidin-2-one is sourced from PubChem (CID 10561637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).