(5E)-5-(bromomethylidene)furan-2-one

C5H3BrO2 — CID 11658367

IUPAC(5E)-5-(bromomethylidene)furan-2-one
SMILESO=C1C=C/C(=C\Br)O1
InChIInChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H/b4-3+
InChIKeyLKFZLSZOWSMZDX-ONEGZZNKSA-N
MW174.98 g/mol
LogP1.34
Rot. Bonds

About (5E)-5-(bromomethylidene)furan-2-one

(5E)-5-(bromomethylidene)furan-2-one (PubChem CID 11658367) has the molecular formula C5H3BrO2 and a molecular weight of 174.98 g/mol. Its IUPAC name is (5E)-5-(bromomethylidene)furan-2-one.

Molecular Properties

Compound Name(5E)-5-(bromomethylidene)furan-2-one
PubChem CID11658367
Molecular FormulaC5H3BrO2
Molecular Weight174.98 g/mol
Exact Mass173.93
IUPAC Name(5E)-5-(bromomethylidene)furan-2-one
SMILESO=C1C=C/C(=C\Br)O1
InChIInChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H/b4-3+
InChIKeyLKFZLSZOWSMZDX-ONEGZZNKSA-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 (5E)-5-(bromomethylidene)furan-2-one?
The IUPAC name of (5E)-5-(bromomethylidene)furan-2-one (CID 11658367) is (5E)-5-(bromomethylidene)furan-2-one.
What is the SMILES notation for (5E)-5-(bromomethylidene)furan-2-one?
The canonical SMILES for (5E)-5-(bromomethylidene)furan-2-one is O=C1C=C/C(=C\Br)O1.
What is the InChIKey of (5E)-5-(bromomethylidene)furan-2-one?
The InChIKey is LKFZLSZOWSMZDX-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H/b4-3+.
What are the key properties of (5E)-5-(bromomethylidene)furan-2-one?
(5E)-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 (5E)-5-(bromomethylidene)furan-2-one is sourced from PubChem (CID 11658367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).