potassium 1-ethenyl-2H-pyrrol-2-ide

C6H6KN — CID 164681879

IUPACpotassium 1-ethenyl-2H-pyrrol-2-ide
SMILESC=Cn1[c-]ccc1.[K+]
InChIInChI=1S/C6H6N.K/c1-2-7-5-3-4-6-7;/h2-5H,1H2;/q-1;+1
InChIKeyHCORNVAXGHMLCI-UHFFFAOYSA-N
MW131.22 g/mol
LogP-1.61
Rot. Bonds1

About potassium 1-ethenyl-2H-pyrrol-2-ide

potassium 1-ethenyl-2H-pyrrol-2-ide (PubChem CID 164681879) has the molecular formula C6H6KN and a molecular weight of 131.22 g/mol. Its IUPAC name is potassium 1-ethenyl-2H-pyrrol-2-ide.

Molecular Properties

Compound Namepotassium 1-ethenyl-2H-pyrrol-2-ide
PubChem CID164681879
Molecular FormulaC6H6KN
Molecular Weight131.22 g/mol
Exact Mass131.01
IUPAC Namepotassium 1-ethenyl-2H-pyrrol-2-ide
SMILESC=Cn1[c-]ccc1.[K+]
InChIInChI=1S/C6H6N.K/c1-2-7-5-3-4-6-7;/h2-5H,1H2;/q-1;+1
InChIKeyHCORNVAXGHMLCI-UHFFFAOYSA-N
XLogP-1.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 1-ethenyl-2H-pyrrol-2-ide?
The IUPAC name of potassium 1-ethenyl-2H-pyrrol-2-ide (CID 164681879) is potassium 1-ethenyl-2H-pyrrol-2-ide.
What is the SMILES notation for potassium 1-ethenyl-2H-pyrrol-2-ide?
The canonical SMILES for potassium 1-ethenyl-2H-pyrrol-2-ide is C=Cn1[c-]ccc1.[K+].
What is the InChIKey of potassium 1-ethenyl-2H-pyrrol-2-ide?
The InChIKey is HCORNVAXGHMLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.K/c1-2-7-5-3-4-6-7;/h2-5H,1H2;/q-1;+1.
What are the key properties of potassium 1-ethenyl-2H-pyrrol-2-ide?
potassium 1-ethenyl-2H-pyrrol-2-ide has a molecular weight of 131.22 g/mol, XLogP of -1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-ethenyl-2H-pyrrol-2-ide is sourced from PubChem (CID 164681879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).