tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate

C17H29NO3Si — CID 101079226

IUPACtert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate
SMILESC=C[C@@H]1C[C@H](/C=C\C[Si](C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO3Si/c1-8-14-12-13(10-9-11-22(5,6)7)15(19)18(14)16(20)21-17(2,3)4/h8-10,13-14H,1,11-12H2,2-7H3/b10-9-/t13-,14+/m0/s1
InChIKeyXKLPGUPOECGKAD-UCFRMXPJSA-N
MW323.51 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate

tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate (PubChem CID 101079226) has the molecular formula C17H29NO3Si and a molecular weight of 323.51 g/mol. Its IUPAC name is tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate
PubChem CID101079226
Molecular FormulaC17H29NO3Si
Molecular Weight323.51 g/mol
Exact Mass323.19
IUPAC Nametert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate
SMILESC=C[C@@H]1C[C@H](/C=C\C[Si](C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO3Si/c1-8-14-12-13(10-9-11-22(5,6)7)15(19)18(14)16(20)21-17(2,3)4/h8-10,13-14H,1,11-12H2,2-7H3/b10-9-/t13-,14+/m0/s1
InChIKeyXKLPGUPOECGKAD-UCFRMXPJSA-N
XLogP4.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate
CID 15507039
(1S,4R)-tert-Butyl 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10910778
tert-butyl (1S,5S)-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
CID 11528673
(1R,4S)-tert-Butyl 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11830665
Tert-butyl 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15319948
tert-butyl (4R)-3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 59671330
Tert-butyl 7-fluoro-3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 130003911
tert-butyl (1R,4R,7R)-7-fluoro-3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 130941719
(6R,7S)-2-Boc-2-aza-bicyclo[2.2.1]hept-5-EN-3-one
CID 68257580
Tert-butyl 2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]pyrrole-1-carboxylate
CID 68765962
tert-butyl (1S,4S)-3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 91987650
tert-butyl (3S,5R)-3,5-bis(ethenyl)-2-oxopyrrolidine-1-carboxylate
CID 101410913

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate (CID 101079226) is tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate is C=C[C@@H]1C[C@H](/C=C\C[Si](C)(C)C)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate?
The InChIKey is XKLPGUPOECGKAD-UCFRMXPJSA-N. The full InChI is InChI=1S/C17H29NO3Si/c1-8-14-12-13(10-9-11-22(5,6)7)15(19)18(14)16(20)21-17(2,3)4/h8-10,13-14H,1,11-12H2,2-7H3/b10-9-/t13-,14+/m0/s1.
What are the key properties of tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate?
tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate has a molecular weight of 323.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-5-ethenyl-2-oxo-3-[(Z)-3-trimethylsilylprop-1-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 101079226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).