(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one

C12H25NO2Si — CID 67105254

IUPAC(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one
SMILESCC[C@@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2Si/c1-7-9-10(8-11(14)13-9)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyZOMJMOPONYZIOR-UWVGGRQHSA-N
MW243.42 g/mol
LogP2.68
Rot. Bonds3

About (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one

(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one (PubChem CID 67105254) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one
PubChem CID67105254
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one
SMILESCC[C@@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2Si/c1-7-9-10(8-11(14)13-9)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyZOMJMOPONYZIOR-UWVGGRQHSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one (CID 67105254) is (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one is CC[C@@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one?
The InChIKey is ZOMJMOPONYZIOR-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-7-9-10(8-11(14)13-9)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one?
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one has a molecular weight of 243.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethylpyrrolidin-2-one is sourced from PubChem (CID 67105254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).