(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one

C16H25NO2Si — CID 58839404

IUPAC(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-11-13(17-15(14)18)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyOPGFYXUDHVSSSH-KGLIPLIRSA-N
MW291.47 g/mol
LogP3.64
Rot. Bonds3

About (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one

(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one (PubChem CID 58839404) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
PubChem CID58839404
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC Name(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-11-13(17-15(14)18)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyOPGFYXUDHVSSSH-KGLIPLIRSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 53.64
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 (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one?
The IUPAC name of (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one (CID 58839404) is (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one?
The canonical SMILES for (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2ccccc2)NC1=O.
What is the InChIKey of (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one?
The InChIKey is OPGFYXUDHVSSSH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-11-13(17-15(14)18)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one?
(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one has a molecular weight of 291.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 58839404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).