prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate

C21H37NO5Si — CID 57026258

IUPACprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)=CCC(=O)OCC
InChIInChI=1S/C21H37NO5Si/c1-9-13-26-20(24)22-15-17(27-28(7,8)21(4,5)6)14-18(22)16(3)11-12-19(23)25-10-2/h9,11,17-18H,1,10,12-15H2,2-8H3/t17-,18+/m1/s1
InChIKeyHDDNLJWIZHOYFR-MSOLQXFVSA-N
MW411.62 g/mol
LogP4.67
Rot. Bonds8

About prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate (PubChem CID 57026258) has the molecular formula C21H37NO5Si and a molecular weight of 411.62 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate
PubChem CID57026258
Molecular FormulaC21H37NO5Si
Molecular Weight411.62 g/mol
Exact Mass411.24
IUPAC Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)=CCC(=O)OCC
InChIInChI=1S/C21H37NO5Si/c1-9-13-26-20(24)22-15-17(27-28(7,8)21(4,5)6)14-18(22)16(3)11-12-19(23)25-10-2/h9,11,17-18H,1,10,12-15H2,2-8H3/t17-,18+/m1/s1
InChIKeyHDDNLJWIZHOYFR-MSOLQXFVSA-N
XLogP4.67
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate (CID 57026258) is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)=CCC(=O)OCC.
What is the InChIKey of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is HDDNLJWIZHOYFR-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H37NO5Si/c1-9-13-26-20(24)22-15-17(27-28(7,8)21(4,5)6)14-18(22)16(3)11-12-19(23)25-10-2/h9,11,17-18H,1,10,12-15H2,2-8H3/t17-,18+/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 411.62 g/mol, XLogP of 4.67, 8 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(dimethyl)silyl]oxy-2-(5-ethoxy-5-oxopent-2-en-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57026258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).