5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid

C10H8O5 — CID 11367769

IUPAC5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid
SMILESCC1(c2ccco2)OC(C(=O)O)=CC1=O
InChIInChI=1S/C10H8O5/c1-10(8-3-2-4-14-8)7(11)5-6(15-10)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyHWWTURDCJBNZDY-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.06
Rot. Bonds2

About 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid

5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid (PubChem CID 11367769) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid
PubChem CID11367769
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid
SMILESCC1(c2ccco2)OC(C(=O)O)=CC1=O
InChIInChI=1S/C10H8O5/c1-10(8-3-2-4-14-8)7(11)5-6(15-10)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyHWWTURDCJBNZDY-UHFFFAOYSA-N
XLogP1.06
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid (CID 11367769) is 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid is CC1(c2ccco2)OC(C(=O)O)=CC1=O.
What is the InChIKey of 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid?
The InChIKey is HWWTURDCJBNZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-10(8-3-2-4-14-8)7(11)5-6(15-10)9(12)13/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid?
5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-5-methyl-4-oxofuran-2-carboxylic acid is sourced from PubChem (CID 11367769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).