(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one

C14H27NO3Si — CID 90303316

IUPAC(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC([C@@H]1CO1)[C@H]1CCC(=O)N1
InChIInChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-8-10(12-9-17-12)11-6-7-13(16)15-11/h10-12H,6-9H2,1-5H3,(H,15,16)/t10?,11-,12+/m1/s1
InChIKeyGUQWJHDURPKUAF-SAIIYOCFSA-N
MW285.46 g/mol
LogP2.30
Rot. Bonds5

About (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one

(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 90303316) has the molecular formula C14H27NO3Si and a molecular weight of 285.46 g/mol. Its IUPAC name is (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one
PubChem CID90303316
Molecular FormulaC14H27NO3Si
Molecular Weight285.46 g/mol
Exact Mass285.18
IUPAC Name(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC([C@@H]1CO1)[C@H]1CCC(=O)N1
InChIInChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-8-10(12-9-17-12)11-6-7-13(16)15-11/h10-12H,6-9H2,1-5H3,(H,15,16)/t10?,11-,12+/m1/s1
InChIKeyGUQWJHDURPKUAF-SAIIYOCFSA-N
XLogP2.30
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one (CID 90303316) is (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OCC([C@@H]1CO1)[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is GUQWJHDURPKUAF-SAIIYOCFSA-N. The full InChI is InChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-8-10(12-9-17-12)11-6-7-13(16)15-11/h10-12H,6-9H2,1-5H3,(H,15,16)/t10?,11-,12+/m1/s1.
What are the key properties of (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one?
(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 285.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 90303316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).