[2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium

C27H33NO2PSi+ — CID 23299793

IUPAC[2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium
SMILESC[Si](C)(C)CCON1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C27H33NO2PSi/c1-32(2,3)22-21-30-28-20-19-26(27(28)29)31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26H,19-22H2,1-3H3/q+1
InChIKeyAQTBSCUVCCJIPL-UHFFFAOYSA-N
MW462.63 g/mol
LogP4.85
Rot. Bonds8

About [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium

[2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium (PubChem CID 23299793) has the molecular formula C27H33NO2PSi+ and a molecular weight of 462.63 g/mol. Its IUPAC name is [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium
PubChem CID23299793
Molecular FormulaC27H33NO2PSi+
Molecular Weight462.63 g/mol
Exact Mass462.20
IUPAC Name[2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium
SMILESC[Si](C)(C)CCON1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C27H33NO2PSi/c1-32(2,3)22-21-30-28-20-19-26(27(28)29)31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26H,19-22H2,1-3H3/q+1
InChIKeyAQTBSCUVCCJIPL-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.63
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium?
The IUPAC name of [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium (CID 23299793) is [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium.
What is the SMILES notation for [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium?
The canonical SMILES for [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium is C[Si](C)(C)CCON1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium?
The InChIKey is AQTBSCUVCCJIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO2PSi/c1-32(2,3)22-21-30-28-20-19-26(27(28)29)31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26H,19-22H2,1-3H3/q+1.
What are the key properties of [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium?
[2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium has a molecular weight of 462.63 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-(2-trimethylsilylethoxy)pyrrolidin-3-yl]-triphenylphosphanium is sourced from PubChem (CID 23299793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).