potassium pyrrol-1-ide-2,5-dione

C4H2KNO2 — CID 14099679

IUPACpotassium pyrrol-1-ide-2,5-dione
SMILESO=C1C=CC(=O)[N-]1.[K+]
InChIInChI=1S/C4H3NO2.K/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);/q;+1/p-1
InChIKeyFBAOYZWNKSMIHJ-UHFFFAOYSA-M
MW135.16 g/mol
LogP-3.01
Rot. Bonds

About potassium pyrrol-1-ide-2,5-dione

potassium pyrrol-1-ide-2,5-dione (PubChem CID 14099679) has the molecular formula C4H2KNO2 and a molecular weight of 135.16 g/mol. Its IUPAC name is potassium pyrrol-1-ide-2,5-dione.

Molecular Properties

Compound Namepotassium pyrrol-1-ide-2,5-dione
PubChem CID14099679
Molecular FormulaC4H2KNO2
Molecular Weight135.16 g/mol
Exact Mass134.97
IUPAC Namepotassium pyrrol-1-ide-2,5-dione
SMILESO=C1C=CC(=O)[N-]1.[K+]
InChIInChI=1S/C4H3NO2.K/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);/q;+1/p-1
InChIKeyFBAOYZWNKSMIHJ-UHFFFAOYSA-M
XLogP-3.01
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-3.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium pyrrol-1-ide-2,5-dione?
The IUPAC name of potassium pyrrol-1-ide-2,5-dione (CID 14099679) is potassium pyrrol-1-ide-2,5-dione.
What is the SMILES notation for potassium pyrrol-1-ide-2,5-dione?
The canonical SMILES for potassium pyrrol-1-ide-2,5-dione is O=C1C=CC(=O)[N-]1.[K+].
What is the InChIKey of potassium pyrrol-1-ide-2,5-dione?
The InChIKey is FBAOYZWNKSMIHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO2.K/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium pyrrol-1-ide-2,5-dione?
potassium pyrrol-1-ide-2,5-dione has a molecular weight of 135.16 g/mol, XLogP of -3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pyrrol-1-ide-2,5-dione is sourced from PubChem (CID 14099679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).