potassium isoindol-2-ide-1,3-dione

C8H4KNO2 — CID 3356745

IUPACpotassium isoindol-2-ide-1,3-dione
SMILESO=C1[N-]C(=O)c2ccccc21.[K+]
InChIInChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1
InChIKeyFYRHIOVKTDQVFC-UHFFFAOYSA-M
MW185.22 g/mol
LogP-1.64
Rot. Bonds

About potassium isoindol-2-ide-1,3-dione

potassium isoindol-2-ide-1,3-dione (PubChem CID 3356745) has the molecular formula C8H4KNO2 and a molecular weight of 185.22 g/mol. Its IUPAC name is potassium isoindol-2-ide-1,3-dione.

Molecular Properties

Compound Namepotassium isoindol-2-ide-1,3-dione
PubChem CID3356745
Molecular FormulaC8H4KNO2
Molecular Weight185.22 g/mol
Exact Mass184.99
IUPAC Namepotassium isoindol-2-ide-1,3-dione
SMILESO=C1[N-]C(=O)c2ccccc21.[K+]
InChIInChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1
InChIKeyFYRHIOVKTDQVFC-UHFFFAOYSA-M
XLogP-1.64
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosmet
CID 12901
Folpet
CID 8607
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CID 28777
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
Phthalimidine
CID 10199
Ditalimfos
CID 21207
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154

Frequently Asked Questions

What is the IUPAC name of potassium isoindol-2-ide-1,3-dione?
The IUPAC name of potassium isoindol-2-ide-1,3-dione (CID 3356745) is potassium isoindol-2-ide-1,3-dione.
What is the SMILES notation for potassium isoindol-2-ide-1,3-dione?
The canonical SMILES for potassium isoindol-2-ide-1,3-dione is O=C1[N-]C(=O)c2ccccc21.[K+].
What is the InChIKey of potassium isoindol-2-ide-1,3-dione?
The InChIKey is FYRHIOVKTDQVFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1.
What are the key properties of potassium isoindol-2-ide-1,3-dione?
potassium isoindol-2-ide-1,3-dione has a molecular weight of 185.22 g/mol, XLogP of -1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium isoindol-2-ide-1,3-dione is sourced from PubChem (CID 3356745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).