dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)

C24H18N2O8Sn — CID 25242597

IUPACdimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)
SMILESC[Sn+2]C.O=C([O-])c1ccc(N2C(=O)C=CC2=O)cc1.O=C([O-])c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/2C11H7NO4.2CH3.Sn/c2*13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16;;;/h2*1-6H,(H,15,16);2*1H3;/q;;;;+2/p-2
InChIKeyKMMFGUMQNAEQPB-UHFFFAOYSA-L
MW581.13 g/mol
LogP-0.25
Rot. Bonds4

About dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)

dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate) (PubChem CID 25242597) has the molecular formula C24H18N2O8Sn and a molecular weight of 581.13 g/mol. Its IUPAC name is dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate).

Molecular Properties

Compound Namedimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)
PubChem CID25242597
Molecular FormulaC24H18N2O8Sn
Molecular Weight581.13 g/mol
Exact Mass582.01
IUPAC Namedimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)
SMILESC[Sn+2]C.O=C([O-])c1ccc(N2C(=O)C=CC2=O)cc1.O=C([O-])c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/2C11H7NO4.2CH3.Sn/c2*13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16;;;/h2*1-6H,(H,15,16);2*1H3;/q;;;;+2/p-2
InChIKeyKMMFGUMQNAEQPB-UHFFFAOYSA-L
XLogP-0.25
TPSA155.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-2,5-dioxopyrrol-1-yl)benzoate
CID 26580205
1-[4-(2-hydroxyacetyl)phenyl]pyrrole-2,5-dione
CID 86218281
4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7829632
1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyrrole-2,5-dione
CID 4124115
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyrrole-2,5-dione
CID 6015796
1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
CID 170895995
[4-(2,5-dioxopyrrol-1-yl)phenyl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 102372975
1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione
CID 159560658
4-(2,5-dioxopyrrol-1-yl)benzoic acid;pyrrole-2,5-dione
CID 70630960
4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate
CID 6923576
terephthalate;vanadium(4+)
CID 157213578
dilithium;terephthalate
CID 14361651

Frequently Asked Questions

What is the IUPAC name of dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)?
The IUPAC name of dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate) (CID 25242597) is dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate).
What is the SMILES notation for dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)?
The canonical SMILES for dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate) is C[Sn+2]C.O=C([O-])c1ccc(N2C(=O)C=CC2=O)cc1.O=C([O-])c1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)?
The InChIKey is KMMFGUMQNAEQPB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H7NO4.2CH3.Sn/c2*13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16;;;/h2*1-6H,(H,15,16);2*1H3;/q;;;;+2/p-2.
What are the key properties of dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)?
dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate) has a molecular weight of 581.13 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate) is sourced from PubChem (CID 25242597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).