(2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C16H31NO3Si — CID 102475788

IUPAC(2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)[Si](O[C@@H]1C[C@H]2[C@@H](O)CCN2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C16H31NO3Si/c1-10(2)21(11(3)4,12(5)6)20-15-9-13-14(18)7-8-17(13)16(15)19/h10-15,18H,7-9H2,1-6H3/t13-,14-,15+/m0/s1
InChIKeyQFIQFXUAEKXKKL-SOUVJXGZSA-N
MW313.51 g/mol
LogP2.91
Rot. Bonds5

About (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 102475788) has the molecular formula C16H31NO3Si and a molecular weight of 313.51 g/mol. Its IUPAC name is (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID102475788
Molecular FormulaC16H31NO3Si
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC Name(2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)[Si](O[C@@H]1C[C@H]2[C@@H](O)CCN2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C16H31NO3Si/c1-10(2)21(11(3)4,12(5)6)20-15-9-13-14(18)7-8-17(13)16(15)19/h10-15,18H,7-9H2,1-6H3/t13-,14-,15+/m0/s1
InChIKeyQFIQFXUAEKXKKL-SOUVJXGZSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 52.91
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
(4R,7R,8S)-8-hydroxy-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 134888846
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
1-[Tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 4866723
(4R,7R,8S,10S)-8-hydroxy-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 10539938
(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10548156
(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10612188
(4R,7R,8S,10R)-8-hydroxy-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 11043802
(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
(2R,7R,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102475787

Frequently Asked Questions

What is the IUPAC name of (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 102475788) is (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)[Si](O[C@@H]1C[C@H]2[C@@H](O)CCN2C1=O)(C(C)C)C(C)C.
What is the InChIKey of (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is QFIQFXUAEKXKKL-SOUVJXGZSA-N. The full InChI is InChI=1S/C16H31NO3Si/c1-10(2)21(11(3)4,12(5)6)20-15-9-13-14(18)7-8-17(13)16(15)19/h10-15,18H,7-9H2,1-6H3/t13-,14-,15+/m0/s1.
What are the key properties of (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 313.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 102475788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).