(8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one

C19H27NO3Si — CID 57407422

IUPAC(8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2=C(O)C(=O)N3CCC[C@@H]23)cc1
InChIInChI=1S/C19H27NO3Si/c1-19(2,3)24(4,5)23-14-10-8-13(9-11-14)16-15-7-6-12-20(15)18(22)17(16)21/h8-11,15,21H,6-7,12H2,1-5H3/t15-/m0/s1
InChIKeyLZLZYSZPOQESIT-HNNXBMFYSA-N
MW345.52 g/mol
LogP4.34
Rot. Bonds3

About (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one

(8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one (PubChem CID 57407422) has the molecular formula C19H27NO3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one
PubChem CID57407422
Molecular FormulaC19H27NO3Si
Molecular Weight345.52 g/mol
Exact Mass345.18
IUPAC Name(8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2=C(O)C(=O)N3CCC[C@@H]23)cc1
InChIInChI=1S/C19H27NO3Si/c1-19(2,3)24(4,5)23-14-10-8-13(9-11-14)16-15-7-6-12-20(15)18(22)17(16)21/h8-11,15,21H,6-7,12H2,1-5H3/t15-/m0/s1
InChIKeyLZLZYSZPOQESIT-HNNXBMFYSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one (CID 57407422) is (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one is CC(C)(C)[Si](C)(C)Oc1ccc(C2=C(O)C(=O)N3CCC[C@@H]23)cc1.
What is the InChIKey of (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is LZLZYSZPOQESIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-19(2,3)24(4,5)23-14-10-8-13(9-11-14)16-15-7-6-12-20(15)18(22)17(16)21/h8-11,15,21H,6-7,12H2,1-5H3/t15-/m0/s1.
What are the key properties of (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one?
(8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one has a molecular weight of 345.52 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 57407422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).