1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione

C21H39NO2Sn — CID 14395193

IUPAC1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione
SMILESCCCC[Sn](C/C=C/CCN1C(=O)CCC1=O)(CCCC)CCCC
InChIInChI=1S/C9H12NO2.3C4H9.Sn/c1-2-3-4-7-10-8(11)5-6-9(10)12;3*1-3-4-2;/h2-3H,1,4-7H2;3*1,3-4H2,2H3;/b3-2+;;;;
InChIKeyAOLFJDGLJPHVQL-KHLYBYSVSA-N
MW456.26 g/mol
LogP5.93
Rot. Bonds14

About 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione

1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione (PubChem CID 14395193) has the molecular formula C21H39NO2Sn and a molecular weight of 456.26 g/mol. Its IUPAC name is 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione
PubChem CID14395193
Molecular FormulaC21H39NO2Sn
Molecular Weight456.26 g/mol
Exact Mass457.20
IUPAC Name1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione
SMILESCCCC[Sn](C/C=C/CCN1C(=O)CCC1=O)(CCCC)CCCC
InChIInChI=1S/C9H12NO2.3C4H9.Sn/c1-2-3-4-7-10-8(11)5-6-9(10)12;3*1-3-4-2;/h2-3H,1,4-7H2;3*1,3-4H2,2H3;/b3-2+;;;;
InChIKeyAOLFJDGLJPHVQL-KHLYBYSVSA-N
XLogP5.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.26
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione (CID 14395193) is 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione is CCCC[Sn](C/C=C/CCN1C(=O)CCC1=O)(CCCC)CCCC.
What is the InChIKey of 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione?
The InChIKey is AOLFJDGLJPHVQL-KHLYBYSVSA-N. The full InChI is InChI=1S/C9H12NO2.3C4H9.Sn/c1-2-3-4-7-10-8(11)5-6-9(10)12;3*1-3-4-2;/h2-3H,1,4-7H2;3*1,3-4H2,2H3;/b3-2+;;;;.
What are the key properties of 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione?
1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione has a molecular weight of 456.26 g/mol, XLogP of 5.93, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 14395193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).