5-(bromomethylidene)-4-propylfuran-2-one

C8H9BrO2 — CID 69129263

IUPAC5-(bromomethylidene)-4-propylfuran-2-one
SMILESCCCC1=CC(=O)OC1=CBr
InChIInChI=1S/C8H9BrO2/c1-2-3-6-4-8(10)11-7(6)5-9/h4-5H,2-3H2,1H3
InChIKeyJIOLYEIMRIYESI-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.51
Rot. Bonds2

About 5-(bromomethylidene)-4-propylfuran-2-one

5-(bromomethylidene)-4-propylfuran-2-one (PubChem CID 69129263) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 5-(bromomethylidene)-4-propylfuran-2-one.

Molecular Properties

Compound Name5-(bromomethylidene)-4-propylfuran-2-one
PubChem CID69129263
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name5-(bromomethylidene)-4-propylfuran-2-one
SMILESCCCC1=CC(=O)OC1=CBr
InChIInChI=1S/C8H9BrO2/c1-2-3-6-4-8(10)11-7(6)5-9/h4-5H,2-3H2,1H3
InChIKeyJIOLYEIMRIYESI-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethylidene)-4-propylfuran-2-one?
The IUPAC name of 5-(bromomethylidene)-4-propylfuran-2-one (CID 69129263) is 5-(bromomethylidene)-4-propylfuran-2-one.
What is the SMILES notation for 5-(bromomethylidene)-4-propylfuran-2-one?
The canonical SMILES for 5-(bromomethylidene)-4-propylfuran-2-one is CCCC1=CC(=O)OC1=CBr.
What is the InChIKey of 5-(bromomethylidene)-4-propylfuran-2-one?
The InChIKey is JIOLYEIMRIYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-2-3-6-4-8(10)11-7(6)5-9/h4-5H,2-3H2,1H3.
What are the key properties of 5-(bromomethylidene)-4-propylfuran-2-one?
5-(bromomethylidene)-4-propylfuran-2-one has a molecular weight of 217.06 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethylidene)-4-propylfuran-2-one is sourced from PubChem (CID 69129263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).