(6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one

C15H23NO2Si — CID 101119726

IUPAC(6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
SMILESC[Si](C)(C)C#C[C@H]1CN2CCC[C@H]2[C@@]12CCOC2=O
InChIInChI=1S/C15H23NO2Si/c1-19(2,3)10-6-12-11-16-8-4-5-13(16)15(12)7-9-18-14(15)17/h12-13H,4-5,7-9,11H2,1-3H3/t12-,13-,15+/m0/s1
InChIKeyZGYXPADZIIRQGZ-KCQAQPDRSA-N
MW277.44 g/mol
LogP1.89
Rot. Bonds

About (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one

(6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one (PubChem CID 101119726) has the molecular formula C15H23NO2Si and a molecular weight of 277.44 g/mol. Its IUPAC name is (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one.

Molecular Properties

Compound Name(6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
PubChem CID101119726
Molecular FormulaC15H23NO2Si
Molecular Weight277.44 g/mol
Exact Mass277.15
IUPAC Name(6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
SMILESC[Si](C)(C)C#C[C@H]1CN2CCC[C@H]2[C@@]12CCOC2=O
InChIInChI=1S/C15H23NO2Si/c1-19(2,3)10-6-12-11-16-8-4-5-13(16)15(12)7-9-18-14(15)17/h12-13H,4-5,7-9,11H2,1-3H3/t12-,13-,15+/m0/s1
InChIKeyZGYXPADZIIRQGZ-KCQAQPDRSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R,7S,8R)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
CID 101119727
(6S,7R,8R)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
CID 101119728
(6R,7S,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
CID 101119729
(6S,7R,8S)-7-(2-trimethylsilylethynyl)spiro[1,2,3,5,7,8-hexahydropyrrolizine-6,3'-oxolane]-2'-one
CID 101119730
(6R,7S,8R)-7-(2-trimethylsilylethynyl)spiro[1,2,3,5,7,8-hexahydropyrrolizine-6,3'-oxolane]-2'-one
CID 101119731
(6S,7R,8R)-7-(2-trimethylsilylethynyl)spiro[1,2,3,5,7,8-hexahydropyrrolizine-6,3'-oxolane]-2'-one
CID 101119732
(6R,7S,8S)-7-(2-trimethylsilylethynyl)spiro[1,2,3,5,7,8-hexahydropyrrolizine-6,3'-oxolane]-2'-one
CID 101119733
(6R,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
CID 101119734
(6S,7S,8R)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
CID 101119735
(6R,7R,8R)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
CID 101119736
(6S,7S,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one
CID 101119737
(6R,7R,8R)-7-(2-trimethylsilylethynyl)spiro[1,2,3,5,7,8-hexahydropyrrolizine-6,3'-oxolane]-2'-one
CID 101119738

Frequently Asked Questions

What is the IUPAC name of (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one?
The IUPAC name of (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one (CID 101119726) is (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one.
What is the SMILES notation for (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one?
The canonical SMILES for (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one is C[Si](C)(C)C#C[C@H]1CN2CCC[C@H]2[C@@]12CCOC2=O.
What is the InChIKey of (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one?
The InChIKey is ZGYXPADZIIRQGZ-KCQAQPDRSA-N. The full InChI is InChI=1S/C15H23NO2Si/c1-19(2,3)10-6-12-11-16-8-4-5-13(16)15(12)7-9-18-14(15)17/h12-13H,4-5,7-9,11H2,1-3H3/t12-,13-,15+/m0/s1.
What are the key properties of (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one?
(6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one has a molecular weight of 277.44 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R,8S)-6-(2-trimethylsilylethynyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2'-one is sourced from PubChem (CID 101119726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).