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

C19H39NSn — CID 15760018

IUPACtributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane
SMILESC=CCN1CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H12N.3C4H9.Sn/c1-2-5-8-6-3-4-7-8;3*1-3-4-2;/h2,6H,1,3-5,7H2;3*1,3-4H2,2H3;
InChIKeySONIMDLPVUJZPS-UHFFFAOYSA-N
MW400.24 g/mol
LogP6.03
Rot. Bonds12

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

tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane (PubChem CID 15760018) has the molecular formula C19H39NSn and a molecular weight of 400.24 g/mol. Its IUPAC name is tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane
PubChem CID15760018
Molecular FormulaC19H39NSn
Molecular Weight400.24 g/mol
Exact Mass401.21
IUPAC Nametributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane
SMILESC=CCN1CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H12N.3C4H9.Sn/c1-2-5-8-6-3-4-7-8;3*1-3-4-2;/h2,6H,1,3-5,7H2;3*1,3-4H2,2H3;
InChIKeySONIMDLPVUJZPS-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.24
LogP ≤ 56.03
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-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane?
The IUPAC name of tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane (CID 15760018) is tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane.
What is the SMILES notation for tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane?
The canonical SMILES for tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane is C=CCN1CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane?
The InChIKey is SONIMDLPVUJZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N.3C4H9.Sn/c1-2-5-8-6-3-4-7-8;3*1-3-4-2;/h2,6H,1,3-5,7H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane?
tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane has a molecular weight of 400.24 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2S)-1-prop-2-enylpyrrolidin-2-yl]stannane is sourced from PubChem (CID 15760018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).