2-hydroxy-3a,4-dihydroisoindole-1,3-dione

C8H7NO3 — CID 23442463

IUPAC2-hydroxy-3a,4-dihydroisoindole-1,3-dione
SMILESO=C1C2=CC=CCC2C(=O)N1O
InChIInChI=1S/C8H7NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-3,6,12H,4H2
InChIKeyGFAUUDVMIZFXDG-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.25
Rot. Bonds

About 2-hydroxy-3a,4-dihydroisoindole-1,3-dione

2-hydroxy-3a,4-dihydroisoindole-1,3-dione (PubChem CID 23442463) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-hydroxy-3a,4-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-3a,4-dihydroisoindole-1,3-dione
PubChem CID23442463
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name2-hydroxy-3a,4-dihydroisoindole-1,3-dione
SMILESO=C1C2=CC=CCC2C(=O)N1O
InChIInChI=1S/C8H7NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-3,6,12H,4H2
InChIKeyGFAUUDVMIZFXDG-UHFFFAOYSA-N
XLogP0.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3a,4-dihydroisoindole-1,3-dione?
The IUPAC name of 2-hydroxy-3a,4-dihydroisoindole-1,3-dione (CID 23442463) is 2-hydroxy-3a,4-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-hydroxy-3a,4-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-hydroxy-3a,4-dihydroisoindole-1,3-dione is O=C1C2=CC=CCC2C(=O)N1O.
What is the InChIKey of 2-hydroxy-3a,4-dihydroisoindole-1,3-dione?
The InChIKey is GFAUUDVMIZFXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-3,6,12H,4H2.
What are the key properties of 2-hydroxy-3a,4-dihydroisoindole-1,3-dione?
2-hydroxy-3a,4-dihydroisoindole-1,3-dione has a molecular weight of 165.15 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3a,4-dihydroisoindole-1,3-dione is sourced from PubChem (CID 23442463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).