prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate

C18H33NO4Si — CID 173348292

IUPACprop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@]1(O[SiH](C)C)C(C)=CCO
InChIInChI=1S/C18H33NO4Si/c1-8-11-22-16(21)19-13-15(17(3,4)5)12-18(19,23-24(6)7)14(2)9-10-20/h8-9,15,20,24H,1,10-13H2,2-7H3/t15-,18-/m0/s1
InChIKeySRMRYMLMLKIUBI-YJBOKZPZSA-N
MW355.55 g/mol
LogP3.31
Rot. Bonds6

About prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate (PubChem CID 173348292) has the molecular formula C18H33NO4Si and a molecular weight of 355.55 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate
PubChem CID173348292
Molecular FormulaC18H33NO4Si
Molecular Weight355.55 g/mol
Exact Mass355.22
IUPAC Nameprop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@]1(O[SiH](C)C)C(C)=CCO
InChIInChI=1S/C18H33NO4Si/c1-8-11-22-16(21)19-13-15(17(3,4)5)12-18(19,23-24(6)7)14(2)9-10-20/h8-9,15,20,24H,1,10-13H2,2-7H3/t15-,18-/m0/s1
InChIKeySRMRYMLMLKIUBI-YJBOKZPZSA-N
XLogP3.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
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

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-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348591
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 (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-ethenylpyrrolidine-1-carboxylate
CID 173324867
tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173254372
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
CID 173210248
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-4-hydroxybut-2-en-2-yl]pyrrolidine-1-carboxylate
CID 67809336
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291233
CID 67791181
CID 67791181
benzyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]pyrrolidine-1-carboxylate
CID 173388211
CID 173291484
CID 173291484

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate (CID 173348292) is prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@]1(O[SiH](C)C)C(C)=CCO.
What is the InChIKey of prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is SRMRYMLMLKIUBI-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H33NO4Si/c1-8-11-22-16(21)19-13-15(17(3,4)5)12-18(19,23-24(6)7)14(2)9-10-20/h8-9,15,20,24H,1,10-13H2,2-7H3/t15-,18-/m0/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 355.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 173348292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).