4-prop-2-enyl-2H-furan-5-one

C7H8O2 — CID 70003539

IUPAC4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=CCOC1=O
InChIInChI=1S/C7H8O2/c1-2-3-6-4-5-9-7(6)8/h2,4H,1,3,5H2
InChIKeyWPGRXCBVQMWUIT-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.05
Rot. Bonds2

About 4-prop-2-enyl-2H-furan-5-one

4-prop-2-enyl-2H-furan-5-one (PubChem CID 70003539) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name4-prop-2-enyl-2H-furan-5-one
PubChem CID70003539
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=CCOC1=O
InChIInChI=1S/C7H8O2/c1-2-3-6-4-5-9-7(6)8/h2,4H,1,3,5H2
InChIKeyWPGRXCBVQMWUIT-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-2H-furan-5-one?
The IUPAC name of 4-prop-2-enyl-2H-furan-5-one (CID 70003539) is 4-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for 4-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for 4-prop-2-enyl-2H-furan-5-one is C=CCC1=CCOC1=O.
What is the InChIKey of 4-prop-2-enyl-2H-furan-5-one?
The InChIKey is WPGRXCBVQMWUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-3-6-4-5-9-7(6)8/h2,4H,1,3,5H2.
What are the key properties of 4-prop-2-enyl-2H-furan-5-one?
4-prop-2-enyl-2H-furan-5-one has a molecular weight of 124.14 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 70003539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).