(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C13H25NO3Si — CID 10826012

IUPAC(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N2CCC[C@]12O
InChIInChI=1S/C13H25NO3Si/c1-12(2,3)18(4,5)17-10-9-11(15)14-8-6-7-13(10,14)16/h10,16H,6-9H2,1-5H3/t10-,13-/m0/s1
InChIKeyVASKVXVMCHACJD-GWCFXTLKSA-N
MW271.43 g/mol
LogP2.09
Rot. Bonds2

About (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 10826012) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID10826012
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N2CCC[C@]12O
InChIInChI=1S/C13H25NO3Si/c1-12(2,3)18(4,5)17-10-9-11(15)14-8-6-7-13(10,14)16/h10,16H,6-9H2,1-5H3/t10-,13-/m0/s1
InChIKeyVASKVXVMCHACJD-GWCFXTLKSA-N
XLogP2.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
1-[Tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 4866723
(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10501255
(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10612188
(1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11022946
(7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 15705512
(7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102475786

Frequently Asked Questions

What is the IUPAC name of (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 10826012) is (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N2CCC[C@]12O.
What is the InChIKey of (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is VASKVXVMCHACJD-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-12(2,3)18(4,5)17-10-9-11(15)14-8-6-7-13(10,14)16/h10,16H,6-9H2,1-5H3/t10-,13-/m0/s1.
What are the key properties of (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 271.43 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 10826012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).