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

C13H25NO2Si — CID 102475786

IUPAC(7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN2C(=O)CC[C@@H]12
InChIInChI=1S/C13H25NO2Si/c1-13(2,3)17(4,5)16-11-8-9-14-10(11)6-7-12(14)15/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyZNMGFQLMCUFGSQ-WDEREUQCSA-N
MW255.43 g/mol
LogP2.77
Rot. Bonds2

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

(7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 102475786) has the molecular formula C13H25NO2Si and a molecular weight of 255.43 g/mol. Its IUPAC name is (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID102475786
Molecular FormulaC13H25NO2Si
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name(7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN2C(=O)CC[C@@H]12
InChIInChI=1S/C13H25NO2Si/c1-13(2,3)17(4,5)16-11-8-9-14-10(11)6-7-12(14)15/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyZNMGFQLMCUFGSQ-WDEREUQCSA-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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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
(4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 134980568
2-t-butyldimethylsilyloxy-dihydro-1H-pyrrolizine-3,5(2H,6H)-dione
CID 13911565
(2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
CID 54115482
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 140761470
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 140761486
(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 165162854
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 170767569
1-[Tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 4866723
(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10548156
(4R,7S,10S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 10777287
(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10826012

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 102475786) is (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCN2C(=O)CC[C@@H]12.
What is the InChIKey of (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is ZNMGFQLMCUFGSQ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25NO2Si/c1-13(2,3)17(4,5)16-11-8-9-14-10(11)6-7-12(14)15/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(7R,8S)-7-[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 (7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 102475786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).