3-bromo-5-ethylidene-4-methylfuran-2-one

C7H7BrO2 — CID 69129515

IUPAC3-bromo-5-ethylidene-4-methylfuran-2-one
SMILESCC=C1OC(=O)C(Br)=C1C
InChIInChI=1S/C7H7BrO2/c1-3-5-4(2)6(8)7(9)10-5/h3H,1-2H3
InChIKeyQEDIZAVHOBWTSK-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.12
Rot. Bonds

About 3-bromo-5-ethylidene-4-methylfuran-2-one

3-bromo-5-ethylidene-4-methylfuran-2-one (PubChem CID 69129515) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is 3-bromo-5-ethylidene-4-methylfuran-2-one.

Molecular Properties

Compound Name3-bromo-5-ethylidene-4-methylfuran-2-one
PubChem CID69129515
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name3-bromo-5-ethylidene-4-methylfuran-2-one
SMILESCC=C1OC(=O)C(Br)=C1C
InChIInChI=1S/C7H7BrO2/c1-3-5-4(2)6(8)7(9)10-5/h3H,1-2H3
InChIKeyQEDIZAVHOBWTSK-UHFFFAOYSA-N
XLogP2.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethylidene-4-methylfuran-2-one?
The IUPAC name of 3-bromo-5-ethylidene-4-methylfuran-2-one (CID 69129515) is 3-bromo-5-ethylidene-4-methylfuran-2-one.
What is the SMILES notation for 3-bromo-5-ethylidene-4-methylfuran-2-one?
The canonical SMILES for 3-bromo-5-ethylidene-4-methylfuran-2-one is CC=C1OC(=O)C(Br)=C1C.
What is the InChIKey of 3-bromo-5-ethylidene-4-methylfuran-2-one?
The InChIKey is QEDIZAVHOBWTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2/c1-3-5-4(2)6(8)7(9)10-5/h3H,1-2H3.
What are the key properties of 3-bromo-5-ethylidene-4-methylfuran-2-one?
3-bromo-5-ethylidene-4-methylfuran-2-one has a molecular weight of 203.03 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethylidene-4-methylfuran-2-one is sourced from PubChem (CID 69129515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).