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

C19H39NO3Si2 — CID 10548156

IUPAC(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C19H39NO3Si2/c1-18(2,3)24(7,8)22-15-14-12-11-13-20(14)17(21)16(15)23-25(9,10)19(4,5)6/h14-16H,11-13H2,1-10H3/t14-,15-,16+/m0/s1
InChIKeyFRRJYABXPKRTAK-HRCADAONSA-N
MW385.70 g/mol
LogP4.77
Rot. Bonds4

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

(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 10548156) has the molecular formula C19H39NO3Si2 and a molecular weight of 385.70 g/mol. Its IUPAC name is (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID10548156
Molecular FormulaC19H39NO3Si2
Molecular Weight385.70 g/mol
Exact Mass385.25
IUPAC Name(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C19H39NO3Si2/c1-18(2,3)24(7,8)22-15-14-12-11-13-20(14)17(21)16(15)23-25(9,10)19(4,5)6/h14-16H,11-13H2,1-10H3/t14-,15-,16+/m0/s1
InChIKeyFRRJYABXPKRTAK-HRCADAONSA-N
XLogP4.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.70
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10805011
(2S,7R,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101192231
(1S,2R,6R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-difluoro-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 71505256
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
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 170767569
(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10501255
(7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 15705512
(2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101192240
(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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 10548156) is (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N2CCC[C@@H]12.
What is the InChIKey of (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is FRRJYABXPKRTAK-HRCADAONSA-N. The full InChI is InChI=1S/C19H39NO3Si2/c1-18(2,3)24(7,8)22-15-14-12-11-13-20(14)17(21)16(15)23-25(9,10)19(4,5)6/h14-16H,11-13H2,1-10H3/t14-,15-,16+/m0/s1.
What are the key properties of (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 385.70 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 10548156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).