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

C10H17BrO2 — CID 142103764

IUPAC3-bromo-4-methyl-5-methylidenefuran-2-one;ethane
SMILESC=C1OC(=O)C(Br)=C1C.CC.CC
InChIInChI=1S/C6H5BrO2.2C2H6/c1-3-4(2)9-6(8)5(3)7;2*1-2/h2H2,1H3;2*1-2H3
InChIKeyYFHRLPHFRFLEDD-UHFFFAOYSA-N
MW249.15 g/mol
LogP3.78
Rot. Bonds

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

3-bromo-4-methyl-5-methylidenefuran-2-one;ethane (PubChem CID 142103764) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-methylidenefuran-2-one;ethane.

Molecular Properties

Compound Name3-bromo-4-methyl-5-methylidenefuran-2-one;ethane
PubChem CID142103764
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name3-bromo-4-methyl-5-methylidenefuran-2-one;ethane
SMILESC=C1OC(=O)C(Br)=C1C.CC.CC
InChIInChI=1S/C6H5BrO2.2C2H6/c1-3-4(2)9-6(8)5(3)7;2*1-2/h2H2,1H3;2*1-2H3
InChIKeyYFHRLPHFRFLEDD-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 53.78
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;ethane?
The IUPAC name of 3-bromo-4-methyl-5-methylidenefuran-2-one;ethane (CID 142103764) is 3-bromo-4-methyl-5-methylidenefuran-2-one;ethane.
What is the SMILES notation for 3-bromo-4-methyl-5-methylidenefuran-2-one;ethane?
The canonical SMILES for 3-bromo-4-methyl-5-methylidenefuran-2-one;ethane is C=C1OC(=O)C(Br)=C1C.CC.CC.
What is the InChIKey of 3-bromo-4-methyl-5-methylidenefuran-2-one;ethane?
The InChIKey is YFHRLPHFRFLEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2.2C2H6/c1-3-4(2)9-6(8)5(3)7;2*1-2/h2H2,1H3;2*1-2H3.
What are the key properties of 3-bromo-4-methyl-5-methylidenefuran-2-one;ethane?
3-bromo-4-methyl-5-methylidenefuran-2-one;ethane has a molecular weight of 249.15 g/mol, XLogP of 3.78, 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;ethane is sourced from PubChem (CID 142103764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).