tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane

C25H48N2SiSn — CID 58730931

IUPACtert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H21N2Si.3C4H9.Sn/c1-13(2,3)16(4,5)15-10-8-11-7-6-9-14-12(11)15;3*1-3-4-2;/h7,9H,8,10H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyUUNGGGRWNAZGQC-UHFFFAOYSA-N
MW523.47 g/mol
LogP7.51
Rot. Bonds11

About tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane

tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane (PubChem CID 58730931) has the molecular formula C25H48N2SiSn and a molecular weight of 523.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
PubChem CID58730931
Molecular FormulaC25H48N2SiSn
Molecular Weight523.47 g/mol
Exact Mass524.26
IUPAC Nametert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H21N2Si.3C4H9.Sn/c1-13(2,3)16(4,5)15-10-8-11-7-6-9-14-12(11)15;3*1-3-4-2;/h7,9H,8,10H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyUUNGGGRWNAZGQC-UHFFFAOYSA-N
XLogP7.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.47
LogP ≤ 57.51
H-Bond Donors ≤ 50
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 tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The IUPAC name of tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane (CID 58730931) is tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane.
What is the SMILES notation for tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The canonical SMILES for tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane is CCCC[Sn](CCCC)(CCCC)c1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The InChIKey is UUNGGGRWNAZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2Si.3C4H9.Sn/c1-13(2,3)16(4,5)15-10-8-11-7-6-9-14-12(11)15;3*1-3-4-2;/h7,9H,8,10H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane has a molecular weight of 523.47 g/mol, XLogP of 7.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane is sourced from PubChem (CID 58730931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).