2-hydroxyisoindole-1,3-dione

C16H10N2O6 — CID 66775726

IUPAC2-hydroxyisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1O.O=C1c2ccccc2C(=O)N1O
InChIInChI=1S/2C8H5NO3/c2*10-7-5-3-1-2-4-6(5)8(11)9(7)12/h2*1-4,12H
InChIKeyYUEFRBKOGCMEAS-UHFFFAOYSA-N
MW326.26 g/mol
LogP1.34
Rot. Bonds

About 2-hydroxyisoindole-1,3-dione

2-hydroxyisoindole-1,3-dione (PubChem CID 66775726) has the molecular formula C16H10N2O6 and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-hydroxyisoindole-1,3-dione
PubChem CID66775726
Molecular FormulaC16H10N2O6
Molecular Weight326.26 g/mol
Exact Mass326.05
IUPAC Name2-hydroxyisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1O.O=C1c2ccccc2C(=O)N1O
InChIInChI=1S/2C8H5NO3/c2*10-7-5-3-1-2-4-6(5)8(11)9(7)12/h2*1-4,12H
InChIKeyYUEFRBKOGCMEAS-UHFFFAOYSA-N
XLogP1.34
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;2-hydroxyisoindole-1,3-dione
CID 67653341
CID 66974961
CID 66974961
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
2-deuteriooxyisoindole-1,3-dione
CID 146169877
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073
2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
2-hydroxy-5-(2-phenylethynyl)isoindole-1,3-dione
CID 71141187
CID 58970820
CID 58970820
CID 58635188
CID 58635188
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
CID 11328819

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyisoindole-1,3-dione?
The IUPAC name of 2-hydroxyisoindole-1,3-dione (CID 66775726) is 2-hydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-hydroxyisoindole-1,3-dione?
The canonical SMILES for 2-hydroxyisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1O.O=C1c2ccccc2C(=O)N1O.
What is the InChIKey of 2-hydroxyisoindole-1,3-dione?
The InChIKey is YUEFRBKOGCMEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5NO3/c2*10-7-5-3-1-2-4-6(5)8(11)9(7)12/h2*1-4,12H.
What are the key properties of 2-hydroxyisoindole-1,3-dione?
2-hydroxyisoindole-1,3-dione has a molecular weight of 326.26 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 66775726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).