[2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium

C19H22NOSiTl — CID 169145093

IUPAC[2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium
SMILESC[Si](CC(=O)C1CCCN1[Tl])(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOSi.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;/h2-7,9-12,18H,8,13-15H2,1H3;/q-1;+1
InChIKeyHHIJQPCTCZOKTK-UHFFFAOYSA-N
MW512.86 g/mol
LogP2.00
Rot. Bonds5

About [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium

[2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium (PubChem CID 169145093) has the molecular formula C19H22NOSiTl and a molecular weight of 512.86 g/mol. Its IUPAC name is [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium.

Molecular Properties

Compound Name[2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium
PubChem CID169145093
Molecular FormulaC19H22NOSiTl
Molecular Weight512.86 g/mol
Exact Mass513.12
IUPAC Name[2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium
SMILESC[Si](CC(=O)C1CCCN1[Tl])(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOSi.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;/h2-7,9-12,18H,8,13-15H2,1H3;/q-1;+1
InChIKeyHHIJQPCTCZOKTK-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.86
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-[2-(benzenesulfonyl)acetyl]pyrrolidin-1-yl]thallium
CID 169145097
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
phenyl 1-methylpyrrolidine-2-carboxylate
CID 57101862
propan-2-yl 2-[methyl(diphenyl)silyl]acetate
CID 13197434
3-methyl-1-(1-phenylpyrrolidin-2-yl)butan-1-one
CID 132966507
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 118989860
1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909636
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981

Frequently Asked Questions

What is the IUPAC name of [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium?
The IUPAC name of [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium (CID 169145093) is [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium.
What is the SMILES notation for [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium?
The canonical SMILES for [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium is C[Si](CC(=O)C1CCCN1[Tl])(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium?
The InChIKey is HHIJQPCTCZOKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NOSi.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;/h2-7,9-12,18H,8,13-15H2,1H3;/q-1;+1.
What are the key properties of [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium?
[2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium has a molecular weight of 512.86 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[methyl(diphenyl)silyl]acetyl]pyrrolidin-1-yl]thallium is sourced from PubChem (CID 169145093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).