prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate

C20H35NO5Si — CID 56974903

IUPACprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C=C(C)C(=O)OCC
InChIInChI=1S/C20H35NO5Si/c1-9-11-25-19(23)21-14-17(26-27(7,8)20(4,5)6)13-16(21)12-15(3)18(22)24-10-2/h9,12,16-17H,1,10-11,13-14H2,2-8H3
InChIKeyANRMZPASLJDFGX-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.28
Rot. Bonds7

About prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate

prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate (PubChem CID 56974903) has the molecular formula C20H35NO5Si and a molecular weight of 397.59 g/mol. Its IUPAC name is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
PubChem CID56974903
Molecular FormulaC20H35NO5Si
Molecular Weight397.59 g/mol
Exact Mass397.23
IUPAC Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C=C(C)C(=O)OCC
InChIInChI=1S/C20H35NO5Si/c1-9-11-25-19(23)21-14-17(26-27(7,8)20(4,5)6)13-16(21)12-15(3)18(22)24-10-2/h9,12,16-17H,1,10-11,13-14H2,2-8H3
InChIKeyANRMZPASLJDFGX-UHFFFAOYSA-N
XLogP4.28
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.28
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate (CID 56974903) is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C=C(C)C(=O)OCC.
What is the InChIKey of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate?
The InChIKey is ANRMZPASLJDFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO5Si/c1-9-11-25-19(23)21-14-17(26-27(7,8)20(4,5)6)13-16(21)12-15(3)18(22)24-10-2/h9,12,16-17H,1,10-11,13-14H2,2-8H3.
What are the key properties of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate?
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate has a molecular weight of 397.59 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 56974903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).