2,3-dihydrofuran-5-carboxylic acid

C5H6O3 — CID 18972857

IUPAC2,3-dihydrofuran-5-carboxylic acid
SMILESO=C(O)C1=CCCO1
InChIInChI=1S/C5H6O3/c6-5(7)4-2-1-3-8-4/h2H,1,3H2,(H,6,7)
InChIKeyNFTOEHBFQROATQ-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.38
Rot. Bonds1

About 2,3-dihydrofuran-5-carboxylic acid

2,3-dihydrofuran-5-carboxylic acid (PubChem CID 18972857) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydrofuran-5-carboxylic acid
PubChem CID18972857
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name2,3-dihydrofuran-5-carboxylic acid
SMILESO=C(O)C1=CCCO1
InChIInChI=1S/C5H6O3/c6-5(7)4-2-1-3-8-4/h2H,1,3H2,(H,6,7)
InChIKeyNFTOEHBFQROATQ-UHFFFAOYSA-N
XLogP0.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-carboxylic acid?
The IUPAC name of 2,3-dihydrofuran-5-carboxylic acid (CID 18972857) is 2,3-dihydrofuran-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydrofuran-5-carboxylic acid?
The canonical SMILES for 2,3-dihydrofuran-5-carboxylic acid is O=C(O)C1=CCCO1.
What is the InChIKey of 2,3-dihydrofuran-5-carboxylic acid?
The InChIKey is NFTOEHBFQROATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-5(7)4-2-1-3-8-4/h2H,1,3H2,(H,6,7).
What are the key properties of 2,3-dihydrofuran-5-carboxylic acid?
2,3-dihydrofuran-5-carboxylic acid has a molecular weight of 114.10 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-carboxylic acid is sourced from PubChem (CID 18972857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).