(2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate

C15H10N2O6 — CID 54206814

IUPAC(2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate
SMILESO=C(ON1C(=O)C=CC1=O)c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-8,18-19H
InChIKeyTZVYKPITMYTHGB-UHFFFAOYSA-N
MW314.25 g/mol
LogP0.89
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate

(2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate (PubChem CID 54206814) has the molecular formula C15H10N2O6 and a molecular weight of 314.25 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate
PubChem CID54206814
Molecular FormulaC15H10N2O6
Molecular Weight314.25 g/mol
Exact Mass314.05
IUPAC Name(2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate
SMILESO=C(ON1C(=O)C=CC1=O)c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-8,18-19H
InChIKeyTZVYKPITMYTHGB-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'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate (CID 54206814) is (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate is O=C(ON1C(=O)C=CC1=O)c1cccc(-n2c(O)ccc2O)c1.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate?
The InChIKey is TZVYKPITMYTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-8,18-19H.
What are the key properties of (2,5-dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate?
(2,5-dioxopyrrol-1-yl) 3-(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) 3-(2,5-dihydroxypyrrol-1-yl)benzoate is sourced from PubChem (CID 54206814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).