tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate

C22H29NO2Si — CID 75153095

IUPACtert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)25-21(24)23-17-11-16-20(23)26(4,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,11,16-17H2,1-4H3
InChIKeyFARMMOAWQUALJS-UHFFFAOYSA-N
MW367.57 g/mol
LogP3.82
Rot. Bonds3

About tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate

tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate (PubChem CID 75153095) has the molecular formula C22H29NO2Si and a molecular weight of 367.57 g/mol. Its IUPAC name is tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
PubChem CID75153095
Molecular FormulaC22H29NO2Si
Molecular Weight367.57 g/mol
Exact Mass367.20
IUPAC Nametert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)25-21(24)23-17-11-16-20(23)26(4,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,11,16-17H2,1-4H3
InChIKeyFARMMOAWQUALJS-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate (CID 75153095) is tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate?
The InChIKey is FARMMOAWQUALJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-22(2,3)25-21(24)23-17-11-16-20(23)26(4,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,11,16-17H2,1-4H3.
What are the key properties of tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate has a molecular weight of 367.57 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 75153095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).