3-cyclopentyl-4-ethylfuran-2,5-dione

C11H14O3 — CID 59706494

IUPAC3-cyclopentyl-4-ethylfuran-2,5-dione
SMILESCCC1=C(C2CCCC2)C(=O)OC1=O
InChIInChI=1S/C11H14O3/c1-2-8-9(7-5-3-4-6-7)11(13)14-10(8)12/h7H,2-6H2,1H3
InChIKeyQNZUMQIDCCAMQR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.97
Rot. Bonds2

About 3-cyclopentyl-4-ethylfuran-2,5-dione

3-cyclopentyl-4-ethylfuran-2,5-dione (PubChem CID 59706494) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-cyclopentyl-4-ethylfuran-2,5-dione.

Molecular Properties

Compound Name3-cyclopentyl-4-ethylfuran-2,5-dione
PubChem CID59706494
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-cyclopentyl-4-ethylfuran-2,5-dione
SMILESCCC1=C(C2CCCC2)C(=O)OC1=O
InChIInChI=1S/C11H14O3/c1-2-8-9(7-5-3-4-6-7)11(13)14-10(8)12/h7H,2-6H2,1H3
InChIKeyQNZUMQIDCCAMQR-UHFFFAOYSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-ethylfuran-2,5-dione?
The IUPAC name of 3-cyclopentyl-4-ethylfuran-2,5-dione (CID 59706494) is 3-cyclopentyl-4-ethylfuran-2,5-dione.
What is the SMILES notation for 3-cyclopentyl-4-ethylfuran-2,5-dione?
The canonical SMILES for 3-cyclopentyl-4-ethylfuran-2,5-dione is CCC1=C(C2CCCC2)C(=O)OC1=O.
What is the InChIKey of 3-cyclopentyl-4-ethylfuran-2,5-dione?
The InChIKey is QNZUMQIDCCAMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-8-9(7-5-3-4-6-7)11(13)14-10(8)12/h7H,2-6H2,1H3.
What are the key properties of 3-cyclopentyl-4-ethylfuran-2,5-dione?
3-cyclopentyl-4-ethylfuran-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-ethylfuran-2,5-dione is sourced from PubChem (CID 59706494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).