(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one

C28H33NO4Si — CID 101488792

IUPAC(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
SMILESC=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CC[C@@H]1[C@H]1C=CC(=O)O1
InChIInChI=1S/C28H33NO4Si/c1-5-21(29-24(16-18-26(29)30)25-17-19-27(31)33-25)20-32-34(28(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,17,19,21,24-25H,1,16,18,20H2,2-4H3/t21-,24-,25-/m1/s1
InChIKeyYKNDUQDYDPJYFS-NQHRYMMQSA-N
MW475.66 g/mol
LogP3.59
Rot. Bonds8

About (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one

(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one (PubChem CID 101488792) has the molecular formula C28H33NO4Si and a molecular weight of 475.66 g/mol. Its IUPAC name is (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
PubChem CID101488792
Molecular FormulaC28H33NO4Si
Molecular Weight475.66 g/mol
Exact Mass475.22
IUPAC Name(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
SMILESC=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CC[C@@H]1[C@H]1C=CC(=O)O1
InChIInChI=1S/C28H33NO4Si/c1-5-21(29-24(16-18-26(29)30)25-17-19-27(31)33-25)20-32-34(28(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,17,19,21,24-25H,1,16,18,20H2,2-4H3/t21-,24-,25-/m1/s1
InChIKeyYKNDUQDYDPJYFS-NQHRYMMQSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 53.59
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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Related Compounds

(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione
CID 11540114
(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 11713074
(5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 134848013
(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-dien-4-one
CID 11496292
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
CID 10554013
tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
CID 10918381
methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
CID 11827746
tert-butyl (3E,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 23727350
tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 23727352
(6R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-6-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]piperidin-2-one
CID 44238493
(6S)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-6-[(2S)-3-ethenyl-5-oxo-2H-furan-2-yl]piperidin-2-one
CID 44239182
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 56955666

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one (CID 101488792) is (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one is C=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CC[C@@H]1[C@H]1C=CC(=O)O1.
What is the InChIKey of (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?
The InChIKey is YKNDUQDYDPJYFS-NQHRYMMQSA-N. The full InChI is InChI=1S/C28H33NO4Si/c1-5-21(29-24(16-18-26(29)30)25-17-19-27(31)33-25)20-32-34(28(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,17,19,21,24-25H,1,16,18,20H2,2-4H3/t21-,24-,25-/m1/s1.
What are the key properties of (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?
(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one has a molecular weight of 475.66 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 101488792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).