4-bromo-5-(bromomethylidene)-3-butylfuran-2-one

C9H10Br2O2 — CID 54374244

IUPAC4-bromo-5-(bromomethylidene)-3-butylfuran-2-one
SMILESCCCCC1=C(Br)C(=CBr)OC1=O
InChIInChI=1S/C9H10Br2O2/c1-2-3-4-6-8(11)7(5-10)13-9(6)12/h5H,2-4H2,1H3
InChIKeyUVJAGAXWVHGYRW-UHFFFAOYSA-N
MW309.99 g/mol
LogP3.62
Rot. Bonds3

About 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one

4-bromo-5-(bromomethylidene)-3-butylfuran-2-one (PubChem CID 54374244) has the molecular formula C9H10Br2O2 and a molecular weight of 309.99 g/mol. Its IUPAC name is 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one.

Molecular Properties

Compound Name4-bromo-5-(bromomethylidene)-3-butylfuran-2-one
PubChem CID54374244
Molecular FormulaC9H10Br2O2
Molecular Weight309.99 g/mol
Exact Mass307.90
IUPAC Name4-bromo-5-(bromomethylidene)-3-butylfuran-2-one
SMILESCCCCC1=C(Br)C(=CBr)OC1=O
InChIInChI=1S/C9H10Br2O2/c1-2-3-4-6-8(11)7(5-10)13-9(6)12/h5H,2-4H2,1H3
InChIKeyUVJAGAXWVHGYRW-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one?
The IUPAC name of 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one (CID 54374244) is 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one.
What is the SMILES notation for 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one?
The canonical SMILES for 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one is CCCCC1=C(Br)C(=CBr)OC1=O.
What is the InChIKey of 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one?
The InChIKey is UVJAGAXWVHGYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O2/c1-2-3-4-6-8(11)7(5-10)13-9(6)12/h5H,2-4H2,1H3.
What are the key properties of 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one?
4-bromo-5-(bromomethylidene)-3-butylfuran-2-one has a molecular weight of 309.99 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(bromomethylidene)-3-butylfuran-2-one is sourced from PubChem (CID 54374244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).