potassium 1-methyl-2H-pyrrol-2-ide

C5H6KN — CID 134907058

IUPACpotassium 1-methyl-2H-pyrrol-2-ide
SMILESCn1[c-]ccc1.[K+]
InChIInChI=1S/C5H6N.K/c1-6-4-2-3-5-6;/h2-4H,1H3;/q-1;+1
InChIKeyOOHVDNTZFBNVRI-UHFFFAOYSA-N
MW119.21 g/mol
LogP-2.17
Rot. Bonds

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

potassium 1-methyl-2H-pyrrol-2-ide (PubChem CID 134907058) has the molecular formula C5H6KN and a molecular weight of 119.21 g/mol. Its IUPAC name is potassium 1-methyl-2H-pyrrol-2-ide.

Molecular Properties

Compound Namepotassium 1-methyl-2H-pyrrol-2-ide
PubChem CID134907058
Molecular FormulaC5H6KN
Molecular Weight119.21 g/mol
Exact Mass119.01
IUPAC Namepotassium 1-methyl-2H-pyrrol-2-ide
SMILESCn1[c-]ccc1.[K+]
InChIInChI=1S/C5H6N.K/c1-6-4-2-3-5-6;/h2-4H,1H3;/q-1;+1
InChIKeyOOHVDNTZFBNVRI-UHFFFAOYSA-N
XLogP-2.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 5-2.17
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-methyl-2H-pyrrol-2-ide?
The IUPAC name of potassium 1-methyl-2H-pyrrol-2-ide (CID 134907058) is potassium 1-methyl-2H-pyrrol-2-ide.
What is the SMILES notation for potassium 1-methyl-2H-pyrrol-2-ide?
The canonical SMILES for potassium 1-methyl-2H-pyrrol-2-ide is Cn1[c-]ccc1.[K+].
What is the InChIKey of potassium 1-methyl-2H-pyrrol-2-ide?
The InChIKey is OOHVDNTZFBNVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N.K/c1-6-4-2-3-5-6;/h2-4H,1H3;/q-1;+1.
What are the key properties of potassium 1-methyl-2H-pyrrol-2-ide?
potassium 1-methyl-2H-pyrrol-2-ide has a molecular weight of 119.21 g/mol, XLogP of -2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methyl-2H-pyrrol-2-ide is sourced from PubChem (CID 134907058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).