5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid

C10H12O3 — CID 125451607

IUPAC5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C2CC2)c(C)c1C(=O)O
InChIInChI=1S/C10H12O3/c1-5-8(10(11)12)6(2)13-9(5)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12)
InChIKeyCHUMIWQLPLZOOK-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.47
Rot. Bonds2

About 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid

5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid (PubChem CID 125451607) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid
PubChem CID125451607
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C2CC2)c(C)c1C(=O)O
InChIInChI=1S/C10H12O3/c1-5-8(10(11)12)6(2)13-9(5)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12)
InChIKeyCHUMIWQLPLZOOK-UHFFFAOYSA-N
XLogP2.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid (CID 125451607) is 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid is Cc1oc(C2CC2)c(C)c1C(=O)O.
What is the InChIKey of 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid?
The InChIKey is CHUMIWQLPLZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-5-8(10(11)12)6(2)13-9(5)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid?
5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid has a molecular weight of 180.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,4-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 125451607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).