3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione

C11H10O3 — CID 174998848

IUPAC3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione
SMILESO=C1C=C(C2=C3CCC(C3)C2)C(=O)O1
InChIInChI=1S/C11H10O3/c12-10-5-9(11(13)14-10)8-4-6-1-2-7(8)3-6/h5-6H,1-4H2
InChIKeyVWIZCSLFXWZJDZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.50
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione

3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione (PubChem CID 174998848) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione
PubChem CID174998848
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione
SMILESO=C1C=C(C2=C3CCC(C3)C2)C(=O)O1
InChIInChI=1S/C11H10O3/c12-10-5-9(11(13)14-10)8-4-6-1-2-7(8)3-6/h5-6H,1-4H2
InChIKeyVWIZCSLFXWZJDZ-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.50
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-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione (CID 174998848) is 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione is O=C1C=C(C2=C3CCC(C3)C2)C(=O)O1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione?
The InChIKey is VWIZCSLFXWZJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-5-9(11(13)14-10)8-4-6-1-2-7(8)3-6/h5-6H,1-4H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione?
3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione has a molecular weight of 190.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-1-enyl)furan-2,5-dione is sourced from PubChem (CID 174998848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).