tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate

C29H39NO4Si — CID 58011500

IUPACtert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@H]1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C29H39NO4Si/c1-8-15-22-20-23(30(26(22)31)27(32)34-28(2,3)4)21-33-35(29(5,6)7,24-16-11-9-12-17-24)25-18-13-10-14-19-25/h8-14,16-19,22-23H,1,15,20-21H2,2-7H3/t22-,23?/m1/s1
InChIKeyNDILXDZPYMQLSK-WTQRLHSKSA-N
MW493.72 g/mol
LogP5.29
Rot. Bonds7

About tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 58011500) has the molecular formula C29H39NO4Si and a molecular weight of 493.72 g/mol. Its IUPAC name is tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID58011500
Molecular FormulaC29H39NO4Si
Molecular Weight493.72 g/mol
Exact Mass493.26
IUPAC Nametert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@H]1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C29H39NO4Si/c1-8-15-22-20-23(30(26(22)31)27(32)34-28(2,3)4)21-33-35(29(5,6)7,24-16-11-9-12-17-24)25-18-13-10-14-19-25/h8-14,16-19,22-23H,1,15,20-21H2,2-7H3/t22-,23?/m1/s1
InChIKeyNDILXDZPYMQLSK-WTQRLHSKSA-N
XLogP5.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.72
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate (CID 58011500) is tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@@H]1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is NDILXDZPYMQLSK-WTQRLHSKSA-N. The full InChI is InChI=1S/C29H39NO4Si/c1-8-15-22-20-23(30(26(22)31)27(32)34-28(2,3)4)21-33-35(29(5,6)7,24-16-11-9-12-17-24)25-18-13-10-14-19-25/h8-14,16-19,22-23H,1,15,20-21H2,2-7H3/t22-,23?/m1/s1.
What are the key properties of tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 493.72 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 58011500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).