5-prop-2-enoxy-2-benzofuran-1,3-dione

C11H8O4 — CID 15686895

IUPAC5-prop-2-enoxy-2-benzofuran-1,3-dione
SMILESC=CCOc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C11H8O4/c1-2-5-14-7-3-4-8-9(6-7)11(13)15-10(8)12/h2-4,6H,1,5H2
InChIKeyOSXPGWFVVLDXFA-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.56
Rot. Bonds3

About 5-prop-2-enoxy-2-benzofuran-1,3-dione

5-prop-2-enoxy-2-benzofuran-1,3-dione (PubChem CID 15686895) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5-prop-2-enoxy-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-prop-2-enoxy-2-benzofuran-1,3-dione
PubChem CID15686895
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name5-prop-2-enoxy-2-benzofuran-1,3-dione
SMILESC=CCOc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C11H8O4/c1-2-5-14-7-3-4-8-9(6-7)11(13)15-10(8)12/h2-4,6H,1,5H2
InChIKeyOSXPGWFVVLDXFA-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-prop-2-enoxy-2-benzofuran-1,3-dione?
The IUPAC name of 5-prop-2-enoxy-2-benzofuran-1,3-dione (CID 15686895) is 5-prop-2-enoxy-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-prop-2-enoxy-2-benzofuran-1,3-dione?
The canonical SMILES for 5-prop-2-enoxy-2-benzofuran-1,3-dione is C=CCOc1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 5-prop-2-enoxy-2-benzofuran-1,3-dione?
The InChIKey is OSXPGWFVVLDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c1-2-5-14-7-3-4-8-9(6-7)11(13)15-10(8)12/h2-4,6H,1,5H2.
What are the key properties of 5-prop-2-enoxy-2-benzofuran-1,3-dione?
5-prop-2-enoxy-2-benzofuran-1,3-dione has a molecular weight of 204.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-2-benzofuran-1,3-dione is sourced from PubChem (CID 15686895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).