2-hydroxy-5-methoxyisoindole-1,3-dione

C9H7NO4 — CID 15893226

IUPAC2-hydroxy-5-methoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C9H7NO4/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,13H,1H3
InChIKeyVJVPGXXYLJECOC-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.68
Rot. Bonds1

About 2-hydroxy-5-methoxyisoindole-1,3-dione

2-hydroxy-5-methoxyisoindole-1,3-dione (PubChem CID 15893226) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-hydroxy-5-methoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-5-methoxyisoindole-1,3-dione
PubChem CID15893226
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name2-hydroxy-5-methoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C9H7NO4/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,13H,1H3
InChIKeyVJVPGXXYLJECOC-UHFFFAOYSA-N
XLogP0.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxyisoindole-1,3-dione?
The IUPAC name of 2-hydroxy-5-methoxyisoindole-1,3-dione (CID 15893226) is 2-hydroxy-5-methoxyisoindole-1,3-dione.
What is the SMILES notation for 2-hydroxy-5-methoxyisoindole-1,3-dione?
The canonical SMILES for 2-hydroxy-5-methoxyisoindole-1,3-dione is COc1ccc2c(c1)C(=O)N(O)C2=O.
What is the InChIKey of 2-hydroxy-5-methoxyisoindole-1,3-dione?
The InChIKey is VJVPGXXYLJECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,13H,1H3.
What are the key properties of 2-hydroxy-5-methoxyisoindole-1,3-dione?
2-hydroxy-5-methoxyisoindole-1,3-dione has a molecular weight of 193.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxyisoindole-1,3-dione is sourced from PubChem (CID 15893226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).