1-tributylstannylpyrrole-2,5-dione

C16H29NO2Sn — CID 12695969

IUPAC1-tributylstannylpyrrole-2,5-dione
SMILESCCCC[Sn](CCCC)(CCCC)N1C(=O)C=CC1=O
InChIInChI=1S/C4H3NO2.3C4H9.Sn/c6-3-1-2-4(7)5-3;3*1-3-4-2;/h1-2H,(H,5,6,7);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyNLTYVORITNNSGB-UHFFFAOYSA-M
MW386.12 g/mol
LogP4.26
Rot. Bonds10

About 1-tributylstannylpyrrole-2,5-dione

1-tributylstannylpyrrole-2,5-dione (PubChem CID 12695969) has the molecular formula C16H29NO2Sn and a molecular weight of 386.12 g/mol. Its IUPAC name is 1-tributylstannylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-tributylstannylpyrrole-2,5-dione
PubChem CID12695969
Molecular FormulaC16H29NO2Sn
Molecular Weight386.12 g/mol
Exact Mass387.12
IUPAC Name1-tributylstannylpyrrole-2,5-dione
SMILESCCCC[Sn](CCCC)(CCCC)N1C(=O)C=CC1=O
InChIInChI=1S/C4H3NO2.3C4H9.Sn/c6-3-1-2-4(7)5-3;3*1-3-4-2;/h1-2H,(H,5,6,7);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyNLTYVORITNNSGB-UHFFFAOYSA-M
XLogP4.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.12
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tributylstannylpyrrole-2,5-dione?
The IUPAC name of 1-tributylstannylpyrrole-2,5-dione (CID 12695969) is 1-tributylstannylpyrrole-2,5-dione.
What is the SMILES notation for 1-tributylstannylpyrrole-2,5-dione?
The canonical SMILES for 1-tributylstannylpyrrole-2,5-dione is CCCC[Sn](CCCC)(CCCC)N1C(=O)C=CC1=O.
What is the InChIKey of 1-tributylstannylpyrrole-2,5-dione?
The InChIKey is NLTYVORITNNSGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO2.3C4H9.Sn/c6-3-1-2-4(7)5-3;3*1-3-4-2;/h1-2H,(H,5,6,7);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of 1-tributylstannylpyrrole-2,5-dione?
1-tributylstannylpyrrole-2,5-dione has a molecular weight of 386.12 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tributylstannylpyrrole-2,5-dione is sourced from PubChem (CID 12695969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).