methyl 2-trimethylsilylpyrrolidine-1-carboxylate

C9H19NO2Si — CID 46210207

IUPACmethyl 2-trimethylsilylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1[Si](C)(C)C
InChIInChI=1S/C9H19NO2Si/c1-12-9(11)10-7-5-6-8(10)13(2,3)4/h8H,5-7H2,1-4H3
InChIKeySKOMPQAVMJGRPJ-UHFFFAOYSA-N
MW201.34 g/mol
LogP2.09
Rot. Bonds1

About methyl 2-trimethylsilylpyrrolidine-1-carboxylate

methyl 2-trimethylsilylpyrrolidine-1-carboxylate (PubChem CID 46210207) has the molecular formula C9H19NO2Si and a molecular weight of 201.34 g/mol. Its IUPAC name is methyl 2-trimethylsilylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-trimethylsilylpyrrolidine-1-carboxylate
PubChem CID46210207
Molecular FormulaC9H19NO2Si
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Namemethyl 2-trimethylsilylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1[Si](C)(C)C
InChIInChI=1S/C9H19NO2Si/c1-12-9(11)10-7-5-6-8(10)13(2,3)4/h8H,5-7H2,1-4H3
InChIKeySKOMPQAVMJGRPJ-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 52.09
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-trimethylsilylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-trimethylsilylpyrrolidine-1-carboxylate (CID 46210207) is methyl 2-trimethylsilylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-trimethylsilylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-trimethylsilylpyrrolidine-1-carboxylate is COC(=O)N1CCCC1[Si](C)(C)C.
What is the InChIKey of methyl 2-trimethylsilylpyrrolidine-1-carboxylate?
The InChIKey is SKOMPQAVMJGRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2Si/c1-12-9(11)10-7-5-6-8(10)13(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 2-trimethylsilylpyrrolidine-1-carboxylate?
methyl 2-trimethylsilylpyrrolidine-1-carboxylate has a molecular weight of 201.34 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilylpyrrolidine-1-carboxylate is sourced from PubChem (CID 46210207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).