(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate

C11H7I2NO5 — CID 146370489

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1c(I)ccc(I)c1O
InChIInChI=1S/C11H7I2NO5/c12-5-1-2-6(13)10(17)9(5)11(18)19-14-7(15)3-4-8(14)16/h1-2,17H,3-4H2
InChIKeyURQNEXQHTBOWQK-UHFFFAOYSA-N
MW486.99 g/mol
LogP1.82
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate

(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate (PubChem CID 146370489) has the molecular formula C11H7I2NO5 and a molecular weight of 486.99 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate
PubChem CID146370489
Molecular FormulaC11H7I2NO5
Molecular Weight486.99 g/mol
Exact Mass486.84
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1c(I)ccc(I)c1O
InChIInChI=1S/C11H7I2NO5/c12-5-1-2-6(13)10(17)9(5)11(18)19-14-7(15)3-4-8(14)16/h1-2,17H,3-4H2
InChIKeyURQNEXQHTBOWQK-UHFFFAOYSA-N
XLogP1.82
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.99
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate (CID 146370489) is (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate is O=C(ON1C(=O)CCC1=O)c1c(I)ccc(I)c1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate?
The InChIKey is URQNEXQHTBOWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7I2NO5/c12-5-1-2-6(13)10(17)9(5)11(18)19-14-7(15)3-4-8(14)16/h1-2,17H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate?
(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate has a molecular weight of 486.99 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3,6-diiodobenzoate is sourced from PubChem (CID 146370489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).