2-ethenyl-5-methylfuran

C7H8O — CID 3014647

IUPAC2-ethenyl-5-methylfuran
SMILESC=Cc1ccc(C)o1
InChIInChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3
InChIKeyLTQOQNQWJBSGPF-UHFFFAOYSA-N
MW108.14 g/mol
LogP2.23
Rot. Bonds1

About 2-ethenyl-5-methylfuran

2-ethenyl-5-methylfuran (PubChem CID 3014647) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-ethenyl-5-methylfuran.

Molecular Properties

Compound Name2-ethenyl-5-methylfuran
PubChem CID3014647
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name2-ethenyl-5-methylfuran
SMILESC=Cc1ccc(C)o1
InChIInChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3
InChIKeyLTQOQNQWJBSGPF-UHFFFAOYSA-N
XLogP2.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methylfuran?
The IUPAC name of 2-ethenyl-5-methylfuran (CID 3014647) is 2-ethenyl-5-methylfuran.
What is the SMILES notation for 2-ethenyl-5-methylfuran?
The canonical SMILES for 2-ethenyl-5-methylfuran is C=Cc1ccc(C)o1.
What is the InChIKey of 2-ethenyl-5-methylfuran?
The InChIKey is LTQOQNQWJBSGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3.
What are the key properties of 2-ethenyl-5-methylfuran?
2-ethenyl-5-methylfuran has a molecular weight of 108.14 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methylfuran is sourced from PubChem (CID 3014647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).