(2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate

C15H10N2O6 — CID 54301349

IUPAC(2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate
SMILESO=C(ON1C(=O)C=CC1=O)c1ccccc1-n1c(O)ccc1O
InChIInChI=1S/C15H10N2O6/c18-11-5-6-12(19)16(11)10-4-2-1-3-9(10)15(22)23-17-13(20)7-8-14(17)21/h1-8,18-19H
InChIKeyZSJRFZURRWPBPL-UHFFFAOYSA-N
MW314.25 g/mol
LogP0.89
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate

(2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate (PubChem CID 54301349) has the molecular formula C15H10N2O6 and a molecular weight of 314.25 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate
PubChem CID54301349
Molecular FormulaC15H10N2O6
Molecular Weight314.25 g/mol
Exact Mass314.05
IUPAC Name(2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate
SMILESO=C(ON1C(=O)C=CC1=O)c1ccccc1-n1c(O)ccc1O
InChIInChI=1S/C15H10N2O6/c18-11-5-6-12(19)16(11)10-4-2-1-3-9(10)15(22)23-17-13(20)7-8-14(17)21/h1-8,18-19H
InChIKeyZSJRFZURRWPBPL-UHFFFAOYSA-N
XLogP0.89
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid
CID 767146
2-(2,5-Dimethylpyrrol-1-yl)benzoic acid
CID 292956
(2,5-Dihydroxypyrrol-1-yl) 4-fluorobenzoate
CID 53806470
2-[3-[(E)-2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 118443983
(2,5-Dihydroxypyrrol-1-yl) benzoate
CID 53641498
(2,5-Dihydroxypyrrol-1-yl) 4-formylbenzoate
CID 54022956
(2,5-Dihydroxypyrrol-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 54035650
(2,5-Dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate
CID 54206814
2-(2,5-Dihydroxypyrrol-1-yl)-4-[(2-iodoacetyl)amino]benzoic acid
CID 54348985
Bis(2,5-dihydroxypyrrol-1-yl) benzene-1,4-dicarboxylate
CID 54481700
2-(2,5-Dihydroxypyrrol-1-yl)-3-iodobenzoic acid
CID 90783411
(2,5-Dihydroxypyrrol-1-yl) 4-ethenylbenzoate
CID 90879181

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate (CID 54301349) is (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate is O=C(ON1C(=O)C=CC1=O)c1ccccc1-n1c(O)ccc1O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate?
The InChIKey is ZSJRFZURRWPBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O6/c18-11-5-6-12(19)16(11)10-4-2-1-3-9(10)15(22)23-17-13(20)7-8-14(17)21/h1-8,18-19H.
What are the key properties of (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate?
(2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate has a molecular weight of 314.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate is sourced from PubChem (CID 54301349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).