potassium 1-pyrrol-2-ylideneethanolate

C6H6KNO — CID 101202740

IUPACpotassium 1-pyrrol-2-ylideneethanolate
SMILESCC([O-])=C1C=CC=N1.[K+]
InChIInChI=1S/C6H7NO.K/c1-5(8)6-3-2-4-7-6;/h2-4,8H,1H3;/q;+1/p-1
InChIKeyNUWSVFVFTNBQJM-UHFFFAOYSA-M
MW147.22 g/mol
LogP-2.78
Rot. Bonds

About potassium 1-pyrrol-2-ylideneethanolate

potassium 1-pyrrol-2-ylideneethanolate (PubChem CID 101202740) has the molecular formula C6H6KNO and a molecular weight of 147.22 g/mol. Its IUPAC name is potassium 1-pyrrol-2-ylideneethanolate.

Molecular Properties

Compound Namepotassium 1-pyrrol-2-ylideneethanolate
PubChem CID101202740
Molecular FormulaC6H6KNO
Molecular Weight147.22 g/mol
Exact Mass147.01
IUPAC Namepotassium 1-pyrrol-2-ylideneethanolate
SMILESCC([O-])=C1C=CC=N1.[K+]
InChIInChI=1S/C6H7NO.K/c1-5(8)6-3-2-4-7-6;/h2-4,8H,1H3;/q;+1/p-1
InChIKeyNUWSVFVFTNBQJM-UHFFFAOYSA-M
XLogP-2.78
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-2.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1-pyrrol-2-ylideneethanolate?
The IUPAC name of potassium 1-pyrrol-2-ylideneethanolate (CID 101202740) is potassium 1-pyrrol-2-ylideneethanolate.
What is the SMILES notation for potassium 1-pyrrol-2-ylideneethanolate?
The canonical SMILES for potassium 1-pyrrol-2-ylideneethanolate is CC([O-])=C1C=CC=N1.[K+].
What is the InChIKey of potassium 1-pyrrol-2-ylideneethanolate?
The InChIKey is NUWSVFVFTNBQJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO.K/c1-5(8)6-3-2-4-7-6;/h2-4,8H,1H3;/q;+1/p-1.
What are the key properties of potassium 1-pyrrol-2-ylideneethanolate?
potassium 1-pyrrol-2-ylideneethanolate has a molecular weight of 147.22 g/mol, XLogP of -2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-pyrrol-2-ylideneethanolate is sourced from PubChem (CID 101202740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).