potassium 5-methylfuran-2-carboxylate

C6H5KO3 — CID 90487955

IUPACpotassium 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)[O-])o1.[K+]
InChIInChI=1S/C6H6O3.K/c1-4-2-3-5(9-4)6(7)8;/h2-3H,1H3,(H,7,8);/q;+1/p-1
InChIKeyPVQDMVZFGRZFRI-UHFFFAOYSA-M
MW164.20 g/mol
LogP-3.04
Rot. Bonds1

About potassium 5-methylfuran-2-carboxylate

potassium 5-methylfuran-2-carboxylate (PubChem CID 90487955) has the molecular formula C6H5KO3 and a molecular weight of 164.20 g/mol. Its IUPAC name is potassium 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-methylfuran-2-carboxylate
PubChem CID90487955
Molecular FormulaC6H5KO3
Molecular Weight164.20 g/mol
Exact Mass163.99
IUPAC Namepotassium 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)[O-])o1.[K+]
InChIInChI=1S/C6H6O3.K/c1-4-2-3-5(9-4)6(7)8;/h2-3H,1H3,(H,7,8);/q;+1/p-1
InChIKeyPVQDMVZFGRZFRI-UHFFFAOYSA-M
XLogP-3.04
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze potassium 5-methylfuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 5-methylfuran-2-carboxylate?
The IUPAC name of potassium 5-methylfuran-2-carboxylate (CID 90487955) is potassium 5-methylfuran-2-carboxylate.
What is the SMILES notation for potassium 5-methylfuran-2-carboxylate?
The canonical SMILES for potassium 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)[O-])o1.[K+].
What is the InChIKey of potassium 5-methylfuran-2-carboxylate?
The InChIKey is PVQDMVZFGRZFRI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3.K/c1-4-2-3-5(9-4)6(7)8;/h2-3H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 5-methylfuran-2-carboxylate?
potassium 5-methylfuran-2-carboxylate has a molecular weight of 164.20 g/mol, XLogP of -3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-methylfuran-2-carboxylate is sourced from PubChem (CID 90487955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).