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

C13H25NO4Si — CID 4866723

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)N2CC(O)C(O)C12
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)18-9-6-10(16)14-7-8(15)12(17)11(9)14/h8-9,11-12,15,17H,6-7H2,1-5H3
InChIKeyOJJONTONLFHKSK-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.71
Rot. Bonds2

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

1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 4866723) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID4866723
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)N2CC(O)C(O)C12
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)18-9-6-10(16)14-7-8(15)12(17)11(9)14/h8-9,11-12,15,17H,6-7H2,1-5H3
InChIKeyOJJONTONLFHKSK-UHFFFAOYSA-N
XLogP0.71
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,6S,7R,8S)-1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11066100
(1S,5R,6R,7R,8R)-1,6,7-trihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134945357
(1S,6S,7R,8S)-1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 139198822
(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10501255
(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10826012
(7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 15705512
(5R,6R,7S,8R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-(methoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 25105228
(7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102475786
(2R,7R,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102475787
(2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102475788
Rel-(6R,7aS)-6-((tert-butyldimethylsilyl)oxy)-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 168447423

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 4866723) is 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)(C)[Si](C)(C)OC1CC(=O)N2CC(O)C(O)C12.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is OJJONTONLFHKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)18-9-6-10(16)14-7-8(15)12(17)11(9)14/h8-9,11-12,15,17H,6-7H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 287.43 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 4866723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).