2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione

C16H10N2O7 — CID 24774289

IUPAC2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione
SMILESO=C1c2c(ccc(O)c2O)CN1N1C(=O)c2ccc(O)c(O)c2C1=O
InChIInChI=1S/C16H10N2O7/c19-8-3-1-6-5-17(15(24)10(6)12(8)21)18-14(23)7-2-4-9(20)13(22)11(7)16(18)25/h1-4,19-22H,5H2
InChIKeyCDLUVWVJRIVOIQ-UHFFFAOYSA-N
MW342.26 g/mol
LogP0.68
Rot. Bonds1

About 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione

2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione (PubChem CID 24774289) has the molecular formula C16H10N2O7 and a molecular weight of 342.26 g/mol. Its IUPAC name is 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione
PubChem CID24774289
Molecular FormulaC16H10N2O7
Molecular Weight342.26 g/mol
Exact Mass342.05
IUPAC Name2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione
SMILESO=C1c2c(ccc(O)c2O)CN1N1C(=O)c2ccc(O)c(O)c2C1=O
InChIInChI=1S/C16H10N2O7/c19-8-3-1-6-5-17(15(24)10(6)12(8)21)18-14(23)7-2-4-9(20)13(22)11(7)16(18)25/h1-4,19-22H,5H2
InChIKeyCDLUVWVJRIVOIQ-UHFFFAOYSA-N
XLogP0.68
TPSA138.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione?
The IUPAC name of 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione (CID 24774289) is 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione?
The canonical SMILES for 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione is O=C1c2c(ccc(O)c2O)CN1N1C(=O)c2ccc(O)c(O)c2C1=O.
What is the InChIKey of 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione?
The InChIKey is CDLUVWVJRIVOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O7/c19-8-3-1-6-5-17(15(24)10(6)12(8)21)18-14(23)7-2-4-9(20)13(22)11(7)16(18)25/h1-4,19-22H,5H2.
What are the key properties of 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione?
2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione has a molecular weight of 342.26 g/mol, XLogP of 0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione is sourced from PubChem (CID 24774289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).