potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate

C10H5KO4 — CID 142056050

IUPACpotassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
SMILESC=C1OC(=O)c2ccc(C(=O)[O-])cc21.[K+]
InChIInChI=1S/C10H6O4.K/c1-5-8-4-6(9(11)12)2-3-7(8)10(13)14-5;/h2-4H,1H2,(H,11,12);/q;+1/p-1
InChIKeyJTTKYRPPFKSBTM-UHFFFAOYSA-M
MW228.24 g/mol
LogP-2.80
Rot. Bonds1

About potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate

potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate (PubChem CID 142056050) has the molecular formula C10H5KO4 and a molecular weight of 228.24 g/mol. Its IUPAC name is potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate.

Molecular Properties

Compound Namepotassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
PubChem CID142056050
Molecular FormulaC10H5KO4
Molecular Weight228.24 g/mol
Exact Mass227.98
IUPAC Namepotassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
SMILESC=C1OC(=O)c2ccc(C(=O)[O-])cc21.[K+]
InChIInChI=1S/C10H6O4.K/c1-5-8-4-6(9(11)12)2-3-7(8)10(13)14-5;/h2-4H,1H2,(H,11,12);/q;+1/p-1
InChIKeyJTTKYRPPFKSBTM-UHFFFAOYSA-M
XLogP-2.80
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium bis(1,3-dioxo-2-benzofuran-5-carboxylate)
CID 59303424
[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl] 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 89404579
2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyethyl 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 146653316
(1,3-dioxo-2-benzofuran-5-carbonyl)oxymethyl 1-methylidene-3-oxo-2-benzofuran-5-carboxylate
CID 118545018
5-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoacetyl]-2-benzofuran-1,3-dione
CID 118399224
3-[(1,3-dioxo-2-benzofuran-5-carbonyl)amino]-5-[(1-methylidene-3-oxo-2-benzofuran-5-carbonyl)amino]benzoic acid
CID 161125101
5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 156576329
dipotassium;terephthalate
CID 25981
4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))
CID 90474756
5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfonyl]-2-benzofuran-1,3-dione
CID 158374539
[2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclobutyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 87175126
4-(4-carboxylato-2-methylphenyl)-3-methylbenzoate
CID 22358461

Frequently Asked Questions

What is the IUPAC name of potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate?
The IUPAC name of potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate (CID 142056050) is potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate.
What is the SMILES notation for potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate?
The canonical SMILES for potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate is C=C1OC(=O)c2ccc(C(=O)[O-])cc21.[K+].
What is the InChIKey of potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate?
The InChIKey is JTTKYRPPFKSBTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H6O4.K/c1-5-8-4-6(9(11)12)2-3-7(8)10(13)14-5;/h2-4H,1H2,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate?
potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate has a molecular weight of 228.24 g/mol, XLogP of -2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate is sourced from PubChem (CID 142056050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).