tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate

C13H24N2O3Si — CID 124637594

IUPACtert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](C#N)(O[Si](C)(C)C)C1
InChIInChI=1S/C13H24N2O3Si/c1-12(2,3)17-11(16)15-8-7-13(9-14,10-15)18-19(4,5)6/h7-8,10H2,1-6H3/t13-/m1/s1
InChIKeyPVWFGQURJWJHJF-CYBMUJFWSA-N
MW284.43 g/mol
LogP2.74
Rot. Bonds2

About tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate

tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 124637594) has the molecular formula C13H24N2O3Si and a molecular weight of 284.43 g/mol. Its IUPAC name is tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate
PubChem CID124637594
Molecular FormulaC13H24N2O3Si
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Nametert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](C#N)(O[Si](C)(C)C)C1
InChIInChI=1S/C13H24N2O3Si/c1-12(2,3)17-11(16)15-8-7-13(9-14,10-15)18-19(4,5)6/h7-8,10H2,1-6H3/t13-/m1/s1
InChIKeyPVWFGQURJWJHJF-CYBMUJFWSA-N
XLogP2.74
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate (CID 124637594) is tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@](C#N)(O[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is PVWFGQURJWJHJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24N2O3Si/c1-12(2,3)17-11(16)15-8-7-13(9-14,10-15)18-19(4,5)6/h7-8,10H2,1-6H3/t13-/m1/s1.
What are the key properties of tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate?
tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 284.43 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 124637594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).