[(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium

C19H24NOSiTl — CID 149156932

IUPAC[(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium
SMILESC[Si](C[C@@H](O)[C@@H]1CCCN1[Tl])(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NOSi.Tl/c1-22(16-9-4-2-5-10-16,17-11-6-3-7-12-17)15-19(21)18-13-8-14-20-18;/h2-7,9-12,18-19,21H,8,13-15H2,1H3;/q-1;+1/t18-,19+;/m0./s1
InChIKeyRQJOJISXLIMXCL-GRTNUQQKSA-N
MW514.88 g/mol
LogP1.79
Rot. Bonds5

About [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium

[(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium (PubChem CID 149156932) has the molecular formula C19H24NOSiTl and a molecular weight of 514.88 g/mol. Its IUPAC name is [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium.

Molecular Properties

Compound Name[(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium
PubChem CID149156932
Molecular FormulaC19H24NOSiTl
Molecular Weight514.88 g/mol
Exact Mass515.14
IUPAC Name[(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium
SMILESC[Si](C[C@@H](O)[C@@H]1CCCN1[Tl])(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NOSi.Tl/c1-22(16-9-4-2-5-10-16,17-11-6-3-7-12-17)15-19(21)18-13-8-14-20-18;/h2-7,9-12,18-19,21H,8,13-15H2,1H3;/q-1;+1/t18-,19+;/m0./s1
InChIKeyRQJOJISXLIMXCL-GRTNUQQKSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.88
LogP ≤ 51.79
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-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium?
The IUPAC name of [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium (CID 149156932) is [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium.
What is the SMILES notation for [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium?
The canonical SMILES for [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium is C[Si](C[C@@H](O)[C@@H]1CCCN1[Tl])(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium?
The InChIKey is RQJOJISXLIMXCL-GRTNUQQKSA-N. The full InChI is InChI=1S/C19H24NOSi.Tl/c1-22(16-9-4-2-5-10-16,17-11-6-3-7-12-17)15-19(21)18-13-8-14-20-18;/h2-7,9-12,18-19,21H,8,13-15H2,1H3;/q-1;+1/t18-,19+;/m0./s1.
What are the key properties of [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium?
[(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium has a molecular weight of 514.88 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium is sourced from PubChem (CID 149156932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).