(4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one

C17H27NO2Si — CID 10590723

IUPAC(4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)21(4,5)20-15-12-16(19)18-14(15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyZQXJYXICHKWJSH-CABCVRRESA-N
MW305.49 g/mol
LogP3.51
Rot. Bonds4

About (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one

(4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one (PubChem CID 10590723) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one
PubChem CID10590723
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name(4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)21(4,5)20-15-12-16(19)18-14(15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyZQXJYXICHKWJSH-CABCVRRESA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one (CID 10590723) is (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one?
The InChIKey is ZQXJYXICHKWJSH-CABCVRRESA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-17(2,3)21(4,5)20-15-12-16(19)18-14(15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,18,19)/t14-,15+/m1/s1.
What are the key properties of (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one?
(4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one has a molecular weight of 305.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one is sourced from PubChem (CID 10590723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).