(2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate

C14H17NO4Sn — CID 11058036

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate
SMILESC[Sn](C)(C)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H8NO4.3CH3.Sn/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8;;;;/h2-5H,6-7H2;3*1H3;
InChIKeyUIVJCVJPQDZQOR-UHFFFAOYSA-N
MW382.00 g/mol
LogP1.45
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate

(2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate (PubChem CID 11058036) has the molecular formula C14H17NO4Sn and a molecular weight of 382.00 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate
PubChem CID11058036
Molecular FormulaC14H17NO4Sn
Molecular Weight382.00 g/mol
Exact Mass383.02
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate
SMILESC[Sn](C)(C)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H8NO4.3CH3.Sn/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8;;;;/h2-5H,6-7H2;3*1H3;
InChIKeyUIVJCVJPQDZQOR-UHFFFAOYSA-N
XLogP1.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.00
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate (CID 11058036) is (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate is C[Sn](C)(C)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate?
The InChIKey is UIVJCVJPQDZQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8NO4.3CH3.Sn/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8;;;;/h2-5H,6-7H2;3*1H3;.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate?
(2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate has a molecular weight of 382.00 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-trimethylstannylbenzoate is sourced from PubChem (CID 11058036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).