5-(bromomethylidene)furan-2-one

C5H3BrO2 — CID 67228360

IUPAC5-(bromomethylidene)furan-2-one
SMILESO=C1C=CC(=CBr)O1
InChIInChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H
InChIKeyLKFZLSZOWSMZDX-UHFFFAOYSA-N
MW174.98 g/mol
LogP1.34
Rot. Bonds

About 5-(bromomethylidene)furan-2-one

5-(bromomethylidene)furan-2-one (PubChem CID 67228360) has the molecular formula C5H3BrO2 and a molecular weight of 174.98 g/mol. Its IUPAC name is 5-(bromomethylidene)furan-2-one.

Molecular Properties

Compound Name5-(bromomethylidene)furan-2-one
PubChem CID67228360
Molecular FormulaC5H3BrO2
Molecular Weight174.98 g/mol
Exact Mass173.93
IUPAC Name5-(bromomethylidene)furan-2-one
SMILESO=C1C=CC(=CBr)O1
InChIInChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H
InChIKeyLKFZLSZOWSMZDX-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.98
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethylidene)furan-2-one?
The IUPAC name of 5-(bromomethylidene)furan-2-one (CID 67228360) is 5-(bromomethylidene)furan-2-one.
What is the SMILES notation for 5-(bromomethylidene)furan-2-one?
The canonical SMILES for 5-(bromomethylidene)furan-2-one is O=C1C=CC(=CBr)O1.
What is the InChIKey of 5-(bromomethylidene)furan-2-one?
The InChIKey is LKFZLSZOWSMZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H.
What are the key properties of 5-(bromomethylidene)furan-2-one?
5-(bromomethylidene)furan-2-one has a molecular weight of 174.98 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethylidene)furan-2-one is sourced from PubChem (CID 67228360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).