(8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one

C12H23NO2Si — CID 11128456

IUPAC(8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
SMILESC[C@@]1(O[Si](C)(C)C)CCC(=O)N2CCC[C@H]21
InChIInChI=1S/C12H23NO2Si/c1-12(15-16(2,3)4)8-7-11(14)13-9-5-6-10(12)13/h10H,5-9H2,1-4H3/t10-,12+/m0/s1
InChIKeyZJUVJYBGTRNTDP-CMPLNLGQSA-N
MW241.41 g/mol
LogP2.38
Rot. Bonds2

About (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one

(8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one (PubChem CID 11128456) has the molecular formula C12H23NO2Si and a molecular weight of 241.41 g/mol. Its IUPAC name is (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one.

Molecular Properties

Compound Name(8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
PubChem CID11128456
Molecular FormulaC12H23NO2Si
Molecular Weight241.41 g/mol
Exact Mass241.15
IUPAC Name(8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
SMILESC[C@@]1(O[Si](C)(C)C)CCC(=O)N2CCC[C@H]21
InChIInChI=1S/C12H23NO2Si/c1-12(15-16(2,3)4)8-7-11(14)13-9-5-6-10(12)13/h10H,5-9H2,1-4H3/t10-,12+/m0/s1
InChIKeyZJUVJYBGTRNTDP-CMPLNLGQSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one with MolForge

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Related Compounds

(3S,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-3-(iodomethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 11037268
(3R,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-3-(iodomethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 15550286
(8R,8aS)-8-hydroxy-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10678719
(8S,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10922710
(8S,8aS)-8-hydroxy-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10997449
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11747627
(8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11810944
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione
CID 10945963
(8R,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11111626

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one?
The IUPAC name of (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one (CID 11128456) is (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one.
What is the SMILES notation for (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one?
The canonical SMILES for (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one is C[C@@]1(O[Si](C)(C)C)CCC(=O)N2CCC[C@H]21.
What is the InChIKey of (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one?
The InChIKey is ZJUVJYBGTRNTDP-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H23NO2Si/c1-12(15-16(2,3)4)8-7-11(14)13-9-5-6-10(12)13/h10H,5-9H2,1-4H3/t10-,12+/m0/s1.
What are the key properties of (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one?
(8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one has a molecular weight of 241.41 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one is sourced from PubChem (CID 11128456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).