(2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate

C11H9NO5 — CID 15895299

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccccc1O
InChIInChI=1S/C11H9NO5/c13-8-4-2-1-3-7(8)11(16)17-12-9(14)5-6-10(12)15/h1-4,13H,5-6H2
InChIKeyAWZUHVDJTBEXNW-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.61
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate

(2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate (PubChem CID 15895299) has the molecular formula C11H9NO5 and a molecular weight of 235.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate
PubChem CID15895299
Molecular FormulaC11H9NO5
Molecular Weight235.20 g/mol
Exact Mass235.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccccc1O
InChIInChI=1S/C11H9NO5/c13-8-4-2-1-3-7(8)11(16)17-12-9(14)5-6-10(12)15/h1-4,13H,5-6H2
InChIKeyAWZUHVDJTBEXNW-UHFFFAOYSA-N
XLogP0.61
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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) 2-hydroxybenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate (CID 15895299) is (2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate is O=C(ON1C(=O)CCC1=O)c1ccccc1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate?
The InChIKey is AWZUHVDJTBEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c13-8-4-2-1-3-7(8)11(16)17-12-9(14)5-6-10(12)15/h1-4,13H,5-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate?
(2,5-dioxopyrrolidin-1-yl) 2-hydroxybenzoate has a molecular weight of 235.20 g/mol, XLogP of 0.61, 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-hydroxybenzoate is sourced from PubChem (CID 15895299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).