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

C15H29NO3Si — CID 11022946

IUPAC(1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H]1CC(=O)N2CCC[C@H]12
InChIInChI=1S/C15H29NO3Si/c1-15(2,3)20(4,5)19-10-13(17)11-9-14(18)16-8-6-7-12(11)16/h11-13,17H,6-10H2,1-5H3/t11-,12-,13-/m1/s1
InChIKeyCHWUFBFVTSKORT-JHJVBQTASA-N
MW299.49 g/mol
LogP2.38
Rot. Bonds4

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

(1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 11022946) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID11022946
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC Name(1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H]1CC(=O)N2CCC[C@H]12
InChIInChI=1S/C15H29NO3Si/c1-15(2,3)20(4,5)19-10-13(17)11-9-14(18)16-8-6-7-12(11)16/h11-13,17H,6-10H2,1-5H3/t11-,12-,13-/m1/s1
InChIKeyCHWUFBFVTSKORT-JHJVBQTASA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 52.38
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

(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10663988
(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10826012
2-[(1S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]acetic acid
CID 11758806
(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 71762935
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 (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 11022946) is (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H]1CC(=O)N2CCC[C@H]12.
What is the InChIKey of (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is CHWUFBFVTSKORT-JHJVBQTASA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-15(2,3)20(4,5)19-10-13(17)11-9-14(18)16-8-6-7-12(11)16/h11-13,17H,6-10H2,1-5H3/t11-,12-,13-/m1/s1.
What are the key properties of (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 299.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 11022946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).