(5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one

C7H6Br2O2 — CID 12051732

IUPAC(5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one
SMILESCCC1=C(Br)/C(=C/Br)OC1=O
InChIInChI=1S/C7H6Br2O2/c1-2-4-6(9)5(3-8)11-7(4)10/h3H,2H2,1H3/b5-3-
InChIKeyPXUWFYUVVGVIKU-HYXAFXHYSA-N
MW281.93 g/mol
LogP2.84
Rot. Bonds1

About (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one

(5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one (PubChem CID 12051732) has the molecular formula C7H6Br2O2 and a molecular weight of 281.93 g/mol. Its IUPAC name is (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one.

Molecular Properties

Compound Name(5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one
PubChem CID12051732
Molecular FormulaC7H6Br2O2
Molecular Weight281.93 g/mol
Exact Mass279.87
IUPAC Name(5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one
SMILESCCC1=C(Br)/C(=C/Br)OC1=O
InChIInChI=1S/C7H6Br2O2/c1-2-4-6(9)5(3-8)11-7(4)10/h3H,2H2,1H3/b5-3-
InChIKeyPXUWFYUVVGVIKU-HYXAFXHYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.93
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one?
The IUPAC name of (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one (CID 12051732) is (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one.
What is the SMILES notation for (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one?
The canonical SMILES for (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one is CCC1=C(Br)/C(=C/Br)OC1=O.
What is the InChIKey of (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one?
The InChIKey is PXUWFYUVVGVIKU-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H6Br2O2/c1-2-4-6(9)5(3-8)11-7(4)10/h3H,2H2,1H3/b5-3-.
What are the key properties of (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one?
(5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one has a molecular weight of 281.93 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-bromo-5-(bromomethylidene)-3-ethylfuran-2-one is sourced from PubChem (CID 12051732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).