isoindole-1,3-dione;oxadiazole

C10H7N3O3 — CID 174725577

IUPACisoindole-1,3-dione;oxadiazole
SMILESO=C1NC(=O)c2ccccc21.c1conn1
InChIInChI=1S/C8H5NO2.C2H2N2O/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-5-4-3-1/h1-4H,(H,9,10,11);1-2H
InChIKeyRLZILQVEEIDOLD-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.64
Rot. Bonds

About isoindole-1,3-dione;oxadiazole

isoindole-1,3-dione;oxadiazole (PubChem CID 174725577) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is isoindole-1,3-dione;oxadiazole.

Molecular Properties

Compound Nameisoindole-1,3-dione;oxadiazole
PubChem CID174725577
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Nameisoindole-1,3-dione;oxadiazole
SMILESO=C1NC(=O)c2ccccc21.c1conn1
InChIInChI=1S/C8H5NO2.C2H2N2O/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-5-4-3-1/h1-4H,(H,9,10,11);1-2H
InChIKeyRLZILQVEEIDOLD-UHFFFAOYSA-N
XLogP0.64
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of isoindole-1,3-dione;oxadiazole?
The IUPAC name of isoindole-1,3-dione;oxadiazole (CID 174725577) is isoindole-1,3-dione;oxadiazole.
What is the SMILES notation for isoindole-1,3-dione;oxadiazole?
The canonical SMILES for isoindole-1,3-dione;oxadiazole is O=C1NC(=O)c2ccccc21.c1conn1.
What is the InChIKey of isoindole-1,3-dione;oxadiazole?
The InChIKey is RLZILQVEEIDOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.C2H2N2O/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-5-4-3-1/h1-4H,(H,9,10,11);1-2H.
What are the key properties of isoindole-1,3-dione;oxadiazole?
isoindole-1,3-dione;oxadiazole has a molecular weight of 217.18 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isoindole-1,3-dione;oxadiazole is sourced from PubChem (CID 174725577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).