(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C13H25NO2Si — CID 170767569

IUPAC(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2CCC(=O)N2C1
InChIInChI=1S/C13H25NO2Si/c1-13(2,3)17(4,5)16-11-8-10-6-7-12(15)14(10)9-11/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyLTHKRLOWSLCMGL-GHMZBOCLSA-N
MW255.43 g/mol
LogP2.77
Rot. Bonds2

About (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 170767569) has the molecular formula C13H25NO2Si and a molecular weight of 255.43 g/mol. Its IUPAC name is (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID170767569
Molecular FormulaC13H25NO2Si
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2CCC(=O)N2C1
InChIInChI=1S/C13H25NO2Si/c1-13(2,3)17(4,5)16-11-8-10-6-7-12(15)14(10)9-11/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyLTHKRLOWSLCMGL-GHMZBOCLSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.77
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 (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 170767569) is (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2CCC(=O)N2C1.
What is the InChIKey of (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is LTHKRLOWSLCMGL-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25NO2Si/c1-13(2,3)17(4,5)16-11-8-10-6-7-12(15)14(10)9-11/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 255.43 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 170767569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).