5-acetylfuran-3-carboxylic acid

C7H6O4 — CID 10654434

IUPAC5-acetylfuran-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C7H6O4/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3H,1H3,(H,9,10)
InChIKeyBGXPRUOBILDAFT-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.18
Rot. Bonds2

About 5-acetylfuran-3-carboxylic acid

5-acetylfuran-3-carboxylic acid (PubChem CID 10654434) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 5-acetylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-acetylfuran-3-carboxylic acid
PubChem CID10654434
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name5-acetylfuran-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C7H6O4/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3H,1H3,(H,9,10)
InChIKeyBGXPRUOBILDAFT-UHFFFAOYSA-N
XLogP1.18
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 104606942
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607214
5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid
CID 104607507
5-trimethylsilylfuran-3-carboxylic acid
CID 13333561
5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 113432257
5-[(2,6-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607109
5-(3,5-dimethylpiperidine-1-carbonyl)furan-3-carboxylic acid
CID 104607104
1-(4-methylsulfanylfuran-2-yl)ethanone
CID 130028210
5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 114539304

Frequently Asked Questions

What is the IUPAC name of 5-acetylfuran-3-carboxylic acid?
The IUPAC name of 5-acetylfuran-3-carboxylic acid (CID 10654434) is 5-acetylfuran-3-carboxylic acid.
What is the SMILES notation for 5-acetylfuran-3-carboxylic acid?
The canonical SMILES for 5-acetylfuran-3-carboxylic acid is CC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-acetylfuran-3-carboxylic acid?
The InChIKey is BGXPRUOBILDAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of 5-acetylfuran-3-carboxylic acid?
5-acetylfuran-3-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylfuran-3-carboxylic acid is sourced from PubChem (CID 10654434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).