tributyl(3H-pyrrol-2-yl)stannane

C16H31NSn — CID 151743060

IUPACtributyl(3H-pyrrol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=NC=CC1
InChIInChI=1S/C4H4N.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1,3H,2H2;3*1,3-4H2,2H3;
InChIKeyRMXYQSPXZZRSRN-UHFFFAOYSA-N
MW356.14 g/mol
LogP5.73
Rot. Bonds10

About tributyl(3H-pyrrol-2-yl)stannane

tributyl(3H-pyrrol-2-yl)stannane (PubChem CID 151743060) has the molecular formula C16H31NSn and a molecular weight of 356.14 g/mol. Its IUPAC name is tributyl(3H-pyrrol-2-yl)stannane.

Molecular Properties

Compound Nametributyl(3H-pyrrol-2-yl)stannane
PubChem CID151743060
Molecular FormulaC16H31NSn
Molecular Weight356.14 g/mol
Exact Mass357.15
IUPAC Nametributyl(3H-pyrrol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=NC=CC1
InChIInChI=1S/C4H4N.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1,3H,2H2;3*1,3-4H2,2H3;
InChIKeyRMXYQSPXZZRSRN-UHFFFAOYSA-N
XLogP5.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.14
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl(3H-pyrrol-2-yl)stannane?
The IUPAC name of tributyl(3H-pyrrol-2-yl)stannane (CID 151743060) is tributyl(3H-pyrrol-2-yl)stannane.
What is the SMILES notation for tributyl(3H-pyrrol-2-yl)stannane?
The canonical SMILES for tributyl(3H-pyrrol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1=NC=CC1.
What is the InChIKey of tributyl(3H-pyrrol-2-yl)stannane?
The InChIKey is RMXYQSPXZZRSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1,3H,2H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(3H-pyrrol-2-yl)stannane?
tributyl(3H-pyrrol-2-yl)stannane has a molecular weight of 356.14 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3H-pyrrol-2-yl)stannane is sourced from PubChem (CID 151743060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).