2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione

C11H11NO6 — CID 146444156

IUPAC2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)c1ccccc1O.O=C1CCC(=O)N1O
InChIInChI=1S/C7H6O3.C4H5NO3/c8-6-4-2-1-3-5(6)7(9)10;6-3-1-2-4(7)5(3)8/h1-4,8H,(H,9,10);8H,1-2H2
InChIKeyGHLPQJFXWABJQU-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.62
Rot. Bonds1

About 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione

2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione (PubChem CID 146444156) has the molecular formula C11H11NO6 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione
PubChem CID146444156
Molecular FormulaC11H11NO6
Molecular Weight253.21 g/mol
Exact Mass253.06
IUPAC Name2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)c1ccccc1O.O=C1CCC(=O)N1O
InChIInChI=1S/C7H6O3.C4H5NO3/c8-6-4-2-1-3-5(6)7(9)10;6-3-1-2-4(7)5(3)8/h1-4,8H,(H,9,10);8H,1-2H2
InChIKeyGHLPQJFXWABJQU-UHFFFAOYSA-N
XLogP0.62
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione (CID 146444156) is 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione is O=C(O)c1ccccc1O.O=C1CCC(=O)N1O.
What is the InChIKey of 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is GHLPQJFXWABJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C4H5NO3/c8-6-4-2-1-3-5(6)7(9)10;6-3-1-2-4(7)5(3)8/h1-4,8H,(H,9,10);8H,1-2H2.
What are the key properties of 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione?
2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 253.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 146444156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).