[(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium

C9H20NOSiTl — CID 147023739

IUPAC[(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium
SMILESC[Si](C)(C)CC(O)[C@@H]1CCCN1[Tl]
InChIInChI=1S/C9H20NOSi.Tl/c1-12(2,3)7-9(11)8-5-4-6-10-8;/h8-9,11H,4-7H2,1-3H3;/q-1;+1/t8-,9?;/m0./s1
InChIKeyAWFNSNGUXHXGPI-GUORDYTPSA-N
MW390.73 g/mol
LogP1.23
Rot. Bonds3

About [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium

[(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium (PubChem CID 147023739) has the molecular formula C9H20NOSiTl and a molecular weight of 390.73 g/mol. Its IUPAC name is [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium.

Molecular Properties

Compound Name[(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium
PubChem CID147023739
Molecular FormulaC9H20NOSiTl
Molecular Weight390.73 g/mol
Exact Mass391.11
IUPAC Name[(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium
SMILESC[Si](C)(C)CC(O)[C@@H]1CCCN1[Tl]
InChIInChI=1S/C9H20NOSi.Tl/c1-12(2,3)7-9(11)8-5-4-6-10-8;/h8-9,11H,4-7H2,1-3H3;/q-1;+1/t8-,9?;/m0./s1
InChIKeyAWFNSNGUXHXGPI-GUORDYTPSA-N
XLogP1.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.73
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium?
The IUPAC name of [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium (CID 147023739) is [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium.
What is the SMILES notation for [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium?
The canonical SMILES for [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium is C[Si](C)(C)CC(O)[C@@H]1CCCN1[Tl].
What is the InChIKey of [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium?
The InChIKey is AWFNSNGUXHXGPI-GUORDYTPSA-N. The full InChI is InChI=1S/C9H20NOSi.Tl/c1-12(2,3)7-9(11)8-5-4-6-10-8;/h8-9,11H,4-7H2,1-3H3;/q-1;+1/t8-,9?;/m0./s1.
What are the key properties of [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium?
[(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium has a molecular weight of 390.73 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-hydroxy-2-trimethylsilylethyl)pyrrolidin-1-yl]thallium is sourced from PubChem (CID 147023739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).