prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate

C17H30FNO3Si — CID 67809870

IUPACprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1/C=C/CF
InChIInChI=1S/C17H30FNO3Si/c1-7-11-21-16(20)19-13-15(12-14(19)9-8-10-18)22-23(5,6)17(2,3)4/h7-9,14-15H,1,10-13H2,2-6H3/b9-8+/t14-,15-/m1/s1
InChIKeyWOEKLNIFWGJERY-VMFRVMOISA-N
MW343.52 g/mol
LogP4.30
Rot. Bonds6

About prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate (PubChem CID 67809870) has the molecular formula C17H30FNO3Si and a molecular weight of 343.52 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
PubChem CID67809870
Molecular FormulaC17H30FNO3Si
Molecular Weight343.52 g/mol
Exact Mass343.20
IUPAC Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1/C=C/CF
InChIInChI=1S/C17H30FNO3Si/c1-7-11-21-16(20)19-13-15(12-14(19)9-8-10-18)22-23(5,6)17(2,3)4/h7-9,14-15H,1,10-13H2,2-6H3/b9-8+/t14-,15-/m1/s1
InChIKeyWOEKLNIFWGJERY-VMFRVMOISA-N
XLogP4.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.30
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'}

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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-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate (CID 67809870) is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1/C=C/CF.
What is the InChIKey of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate?
The InChIKey is WOEKLNIFWGJERY-VMFRVMOISA-N. The full InChI is InChI=1S/C17H30FNO3Si/c1-7-11-21-16(20)19-13-15(12-14(19)9-8-10-18)22-23(5,6)17(2,3)4/h7-9,14-15H,1,10-13H2,2-6H3/b9-8+/t14-,15-/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate has a molecular weight of 343.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67809870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).