tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane

C20H41NSn — CID 23245259

IUPACtributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane
SMILESC=CCC1CCCN1C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H14N.3C4H9.Sn/c1-3-5-8-6-4-7-9(8)2;3*1-3-4-2;/h3,8H,1-2,4-7H2;3*1,3-4H2,2H3;
InChIKeyHFLAKUGEMZBPGH-UHFFFAOYSA-N
MW414.27 g/mol
LogP6.42
Rot. Bonds13

About tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane

tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane (PubChem CID 23245259) has the molecular formula C20H41NSn and a molecular weight of 414.27 g/mol. Its IUPAC name is tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane.

Molecular Properties

Compound Nametributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane
PubChem CID23245259
Molecular FormulaC20H41NSn
Molecular Weight414.27 g/mol
Exact Mass415.23
IUPAC Nametributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane
SMILESC=CCC1CCCN1C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H14N.3C4H9.Sn/c1-3-5-8-6-4-7-9(8)2;3*1-3-4-2;/h3,8H,1-2,4-7H2;3*1,3-4H2,2H3;
InChIKeyHFLAKUGEMZBPGH-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane?
The IUPAC name of tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane (CID 23245259) is tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane.
What is the SMILES notation for tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane?
The canonical SMILES for tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane is C=CCC1CCCN1C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane?
The InChIKey is HFLAKUGEMZBPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N.3C4H9.Sn/c1-3-5-8-6-4-7-9(8)2;3*1-3-4-2;/h3,8H,1-2,4-7H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane?
tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane has a molecular weight of 414.27 g/mol, XLogP of 6.42, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2-prop-2-enylpyrrolidin-1-yl)methyl]stannane is sourced from PubChem (CID 23245259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).