5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione

C13H10O3 — CID 150662580

IUPAC5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(C3C=CCC3)ccc21
InChIInChI=1S/C13H10O3/c14-12-10-6-5-9(8-3-1-2-4-8)7-11(10)13(15)16-12/h1,3,5-8H,2,4H2
InChIKeyJEEQLCKGMUEPSX-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.43
Rot. Bonds1

About 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione

5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione (PubChem CID 150662580) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione
PubChem CID150662580
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(C3C=CCC3)ccc21
InChIInChI=1S/C13H10O3/c14-12-10-6-5-9(8-3-1-2-4-8)7-11(10)13(15)16-12/h1,3,5-8H,2,4H2
InChIKeyJEEQLCKGMUEPSX-UHFFFAOYSA-N
XLogP2.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione?
The IUPAC name of 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione (CID 150662580) is 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione?
The canonical SMILES for 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(C3C=CCC3)ccc21.
What is the InChIKey of 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione?
The InChIKey is JEEQLCKGMUEPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-12-10-6-5-9(8-3-1-2-4-8)7-11(10)13(15)16-12/h1,3,5-8H,2,4H2.
What are the key properties of 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione?
5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione has a molecular weight of 214.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopent-2-en-1-yl-2-benzofuran-1,3-dione is sourced from PubChem (CID 150662580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).