3-bromo-5-methylidenefuran-2-one

C5H3BrO2 — CID 11030335

IUPAC3-bromo-5-methylidenefuran-2-one
SMILESC=C1C=C(Br)C(=O)O1
InChIInChI=1S/C5H3BrO2/c1-3-2-4(6)5(7)8-3/h2H,1H2
InChIKeyHFKDWQWHFQAIKK-UHFFFAOYSA-N
MW174.98 g/mol
LogP1.34
Rot. Bonds

About 3-bromo-5-methylidenefuran-2-one

3-bromo-5-methylidenefuran-2-one (PubChem CID 11030335) has the molecular formula C5H3BrO2 and a molecular weight of 174.98 g/mol. Its IUPAC name is 3-bromo-5-methylidenefuran-2-one.

Molecular Properties

Compound Name3-bromo-5-methylidenefuran-2-one
PubChem CID11030335
Molecular FormulaC5H3BrO2
Molecular Weight174.98 g/mol
Exact Mass173.93
IUPAC Name3-bromo-5-methylidenefuran-2-one
SMILESC=C1C=C(Br)C(=O)O1
InChIInChI=1S/C5H3BrO2/c1-3-2-4(6)5(7)8-3/h2H,1H2
InChIKeyHFKDWQWHFQAIKK-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 3-bromo-5-methylidenefuran-2-one?
The IUPAC name of 3-bromo-5-methylidenefuran-2-one (CID 11030335) is 3-bromo-5-methylidenefuran-2-one.
What is the SMILES notation for 3-bromo-5-methylidenefuran-2-one?
The canonical SMILES for 3-bromo-5-methylidenefuran-2-one is C=C1C=C(Br)C(=O)O1.
What is the InChIKey of 3-bromo-5-methylidenefuran-2-one?
The InChIKey is HFKDWQWHFQAIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrO2/c1-3-2-4(6)5(7)8-3/h2H,1H2.
What are the key properties of 3-bromo-5-methylidenefuran-2-one?
3-bromo-5-methylidenefuran-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 3-bromo-5-methylidenefuran-2-one is sourced from PubChem (CID 11030335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).