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

C17H30N2O3Si — CID 139660628

IUPACprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCC#N
InChIInChI=1S/C17H30N2O3Si/c1-7-11-21-16(20)19-13-15(12-14(19)9-8-10-18)22-23(5,6)17(2,3)4/h7,14-15H,1,8-9,11-13H2,2-6H3/t14-,15-/m1/s1
InChIKeyKQYGEBZRHIVPGV-HUUCEWRRSA-N
MW338.52 g/mol
LogP4.08
Rot. Bonds6

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

prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate (PubChem CID 139660628) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate
PubChem CID139660628
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Nameprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCC#N
InChIInChI=1S/C17H30N2O3Si/c1-7-11-21-16(20)19-13-15(12-14(19)9-8-10-18)22-23(5,6)17(2,3)4/h7,14-15H,1,8-9,11-13H2,2-6H3/t14-,15-/m1/s1
InChIKeyKQYGEBZRHIVPGV-HUUCEWRRSA-N
XLogP4.08
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.08
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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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate (CID 139660628) is prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCC#N.
What is the InChIKey of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate?
The InChIKey is KQYGEBZRHIVPGV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-7-11-21-16(20)19-13-15(12-14(19)9-8-10-18)22-23(5,6)17(2,3)4/h7,14-15H,1,8-9,11-13H2,2-6H3/t14-,15-/m1/s1.
What are the key properties of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate?
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate has a molecular weight of 338.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyanoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 139660628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).