1-(2,3-dihydrofuran-5-yl)but-3-en-1-one

C8H10O2 — CID 130171823

IUPAC1-(2,3-dihydrofuran-5-yl)but-3-en-1-one
SMILESC=CCC(=O)C1=CCCO1
InChIInChI=1S/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h2,5H,1,3-4,6H2
InChIKeyZKMNQEDDZFGQTO-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.44
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one

1-(2,3-dihydrofuran-5-yl)but-3-en-1-one (PubChem CID 130171823) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)but-3-en-1-one
PubChem CID130171823
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(2,3-dihydrofuran-5-yl)but-3-en-1-one
SMILESC=CCC(=O)C1=CCCO1
InChIInChI=1S/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h2,5H,1,3-4,6H2
InChIKeyZKMNQEDDZFGQTO-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.44
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 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one (CID 130171823) is 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one is C=CCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one?
The InChIKey is ZKMNQEDDZFGQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h2,5H,1,3-4,6H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one?
1-(2,3-dihydrofuran-5-yl)but-3-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)but-3-en-1-one is sourced from PubChem (CID 130171823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).