prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate

C16H28N2O3Si — CID 19971418

IUPACprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CC#N
InChIInChI=1S/C16H28N2O3Si/c1-7-10-20-15(19)18-12-14(11-13(18)8-9-17)21-22(5,6)16(2,3)4/h7,13-14H,1,8,10-12H2,2-6H3
InChIKeyDOOWFCQODXXQGJ-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.69
Rot. Bonds5

About prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate

prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate (PubChem CID 19971418) has the molecular formula C16H28N2O3Si and a molecular weight of 324.50 g/mol. Its IUPAC name is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate
PubChem CID19971418
Molecular FormulaC16H28N2O3Si
Molecular Weight324.50 g/mol
Exact Mass324.19
IUPAC Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CC#N
InChIInChI=1S/C16H28N2O3Si/c1-7-10-20-15(19)18-12-14(11-13(18)8-9-17)21-22(5,6)16(2,3)4/h7,13-14H,1,8,10-12H2,2-6H3
InChIKeyDOOWFCQODXXQGJ-UHFFFAOYSA-N
XLogP3.69
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.69
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

Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate
CID 19385452
Prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate
CID 19971565
tert-Butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(cyanomethyl)pyrrolidine-1-carboxylate
CID 22855967
(2R, 4R)-1-allyloxycarbonyl-2-cyanomethyl-4-t-butyldimethylsilyloxypyrrolidine
CID 53770963
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)pyrrolidine-1-carboxylate
CID 54118590
(2R,4R)-1-allyloxycarbonyl-2-(2-azidoethyl)-4-(t-butyldimethylsilyloxy) pyrrolidine
CID 54502598
1,1-dimethylethyl (2S,4S)-2-(cyanomethyl)-4-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-1-pyrrolidinecarboxylate
CID 86635161
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate
CID 139660628
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate
CID 175597484
prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 10893562
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate
CID 102048554

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate (CID 19971418) is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CC#N.
What is the InChIKey of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate?
The InChIKey is DOOWFCQODXXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3Si/c1-7-10-20-15(19)18-12-14(11-13(18)8-9-17)21-22(5,6)16(2,3)4/h7,13-14H,1,8,10-12H2,2-6H3.
What are the key properties of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate?
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate has a molecular weight of 324.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyanomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 19971418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).