methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate

C12H27NO2Si2 — CID 11334810

IUPACmethyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H27NO2Si2/c1-15-11(14)13-10-8-9-12(13,16(2,3)4)17(5,6)7/h8-10H2,1-7H3
InChIKeyFYTKKGDIBSFFLM-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.34
Rot. Bonds2

About methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate

methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate (PubChem CID 11334810) has the molecular formula C12H27NO2Si2 and a molecular weight of 273.52 g/mol. Its IUPAC name is methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate
PubChem CID11334810
Molecular FormulaC12H27NO2Si2
Molecular Weight273.52 g/mol
Exact Mass273.16
IUPAC Namemethyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H27NO2Si2/c1-15-11(14)13-10-8-9-12(13,16(2,3)4)17(5,6)7/h8-10H2,1-7H3
InChIKeyFYTKKGDIBSFFLM-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.34
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 methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate (CID 11334810) is methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate is COC(=O)N1CCCC1([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate?
The InChIKey is FYTKKGDIBSFFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si2/c1-15-11(14)13-10-8-9-12(13,16(2,3)4)17(5,6)7/h8-10H2,1-7H3.
What are the key properties of methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate?
methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate has a molecular weight of 273.52 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(trimethylsilyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11334810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).