3-bromo-4-methyl-5-methylidenefuran-2-one

C6H5BrO2 — CID 22287783

IUPAC3-bromo-4-methyl-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(Br)=C1C
InChIInChI=1S/C6H5BrO2/c1-3-4(2)9-6(8)5(3)7/h2H2,1H3
InChIKeyRPBJFCNADVATRO-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.73
Rot. Bonds

About 3-bromo-4-methyl-5-methylidenefuran-2-one

3-bromo-4-methyl-5-methylidenefuran-2-one (PubChem CID 22287783) has the molecular formula C6H5BrO2 and a molecular weight of 189.01 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-methylidenefuran-2-one.

Molecular Properties

Compound Name3-bromo-4-methyl-5-methylidenefuran-2-one
PubChem CID22287783
Molecular FormulaC6H5BrO2
Molecular Weight189.01 g/mol
Exact Mass187.95
IUPAC Name3-bromo-4-methyl-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(Br)=C1C
InChIInChI=1S/C6H5BrO2/c1-3-4(2)9-6(8)5(3)7/h2H2,1H3
InChIKeyRPBJFCNADVATRO-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-methylidenefuran-2-one?
The IUPAC name of 3-bromo-4-methyl-5-methylidenefuran-2-one (CID 22287783) is 3-bromo-4-methyl-5-methylidenefuran-2-one.
What is the SMILES notation for 3-bromo-4-methyl-5-methylidenefuran-2-one?
The canonical SMILES for 3-bromo-4-methyl-5-methylidenefuran-2-one is C=C1OC(=O)C(Br)=C1C.
What is the InChIKey of 3-bromo-4-methyl-5-methylidenefuran-2-one?
The InChIKey is RPBJFCNADVATRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2/c1-3-4(2)9-6(8)5(3)7/h2H2,1H3.
What are the key properties of 3-bromo-4-methyl-5-methylidenefuran-2-one?
3-bromo-4-methyl-5-methylidenefuran-2-one has a molecular weight of 189.01 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-5-methylidenefuran-2-one is sourced from PubChem (CID 22287783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).