2-aminooxyisoindole-1,3-dione

C8H6N2O3 — CID 89054763

IUPAC2-aminooxyisoindole-1,3-dione
SMILESNON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C8H6N2O3/c9-13-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2
InChIKeyBHEJJWTXJKVQJC-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.09
Rot. Bonds1

About 2-aminooxyisoindole-1,3-dione

2-aminooxyisoindole-1,3-dione (PubChem CID 89054763) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-aminooxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-aminooxyisoindole-1,3-dione
PubChem CID89054763
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name2-aminooxyisoindole-1,3-dione
SMILESNON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C8H6N2O3/c9-13-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2
InChIKeyBHEJJWTXJKVQJC-UHFFFAOYSA-N
XLogP0.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminooxyisoindole-1,3-dione?
The IUPAC name of 2-aminooxyisoindole-1,3-dione (CID 89054763) is 2-aminooxyisoindole-1,3-dione.
What is the SMILES notation for 2-aminooxyisoindole-1,3-dione?
The canonical SMILES for 2-aminooxyisoindole-1,3-dione is NON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-aminooxyisoindole-1,3-dione?
The InChIKey is BHEJJWTXJKVQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c9-13-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2.
What are the key properties of 2-aminooxyisoindole-1,3-dione?
2-aminooxyisoindole-1,3-dione has a molecular weight of 178.15 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyisoindole-1,3-dione is sourced from PubChem (CID 89054763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).