prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate

C18H33NO5SSi — CID 173348591

IUPACprop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@@]1(/C=C/CS(C)(=O)=O)O[SiH](C)C
InChIInChI=1S/C18H33NO5SSi/c1-8-11-23-16(20)19-14-15(17(2,3)4)13-18(19,24-26(6)7)10-9-12-25(5,21)22/h8-10,15,26H,1,11-14H2,2-7H3/b10-9+/t15-,18+/m0/s1
InChIKeyWXUYUWPBMDNRCP-VSNRRYGASA-N
MW403.62 g/mol
LogP2.97
Rot. Bonds7

About prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate (PubChem CID 173348591) has the molecular formula C18H33NO5SSi and a molecular weight of 403.62 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate
PubChem CID173348591
Molecular FormulaC18H33NO5SSi
Molecular Weight403.62 g/mol
Exact Mass403.18
IUPAC Nameprop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@@]1(/C=C/CS(C)(=O)=O)O[SiH](C)C
InChIInChI=1S/C18H33NO5SSi/c1-8-11-23-16(20)19-14-15(17(2,3)4)13-18(19,24-26(6)7)10-9-12-25(5,21)22/h8-10,15,26H,1,11-14H2,2-7H3/b10-9+/t15-,18+/m0/s1
InChIKeyWXUYUWPBMDNRCP-VSNRRYGASA-N
XLogP2.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.62
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348366
prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173349448
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate
CID 173348292
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
CID 173324867
prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxylate
CID 173325459
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
CID 173210248
tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173254372
benzyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]pyrrolidine-1-carboxylate
CID 173388211
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291233
CID 67791181
CID 67791181
2-O-methyl 1-O-[(4-nitrophenyl)methyl] (2S,4R)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1,2-dicarboxylate
CID 152761810
CID 173291484
CID 173291484

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate (CID 173348591) is prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@@]1(/C=C/CS(C)(=O)=O)O[SiH](C)C.
What is the InChIKey of prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate?
The InChIKey is WXUYUWPBMDNRCP-VSNRRYGASA-N. The full InChI is InChI=1S/C18H33NO5SSi/c1-8-11-23-16(20)19-14-15(17(2,3)4)13-18(19,24-26(6)7)10-9-12-25(5,21)22/h8-10,15,26H,1,11-14H2,2-7H3/b10-9+/t15-,18+/m0/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate has a molecular weight of 403.62 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 173348591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).