3-methyl-2-[(E)-prop-1-enyl]furan

C8H10O — CID 59930560

IUPAC3-methyl-2-[(E)-prop-1-enyl]furan
SMILESC/C=C/c1occc1C
InChIInChI=1S/C8H10O/c1-3-4-8-7(2)5-6-9-8/h3-6H,1-2H3/b4-3+
InChIKeyWDBYFKRTNGYEHX-ONEGZZNKSA-N
MW122.17 g/mol
LogP2.62
Rot. Bonds1

About 3-methyl-2-[(E)-prop-1-enyl]furan

3-methyl-2-[(E)-prop-1-enyl]furan (PubChem CID 59930560) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-methyl-2-[(E)-prop-1-enyl]furan.

Molecular Properties

Compound Name3-methyl-2-[(E)-prop-1-enyl]furan
PubChem CID59930560
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name3-methyl-2-[(E)-prop-1-enyl]furan
SMILESC/C=C/c1occc1C
InChIInChI=1S/C8H10O/c1-3-4-8-7(2)5-6-9-8/h3-6H,1-2H3/b4-3+
InChIKeyWDBYFKRTNGYEHX-ONEGZZNKSA-N
XLogP2.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-prop-1-enyl]furan?
The IUPAC name of 3-methyl-2-[(E)-prop-1-enyl]furan (CID 59930560) is 3-methyl-2-[(E)-prop-1-enyl]furan.
What is the SMILES notation for 3-methyl-2-[(E)-prop-1-enyl]furan?
The canonical SMILES for 3-methyl-2-[(E)-prop-1-enyl]furan is C/C=C/c1occc1C.
What is the InChIKey of 3-methyl-2-[(E)-prop-1-enyl]furan?
The InChIKey is WDBYFKRTNGYEHX-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10O/c1-3-4-8-7(2)5-6-9-8/h3-6H,1-2H3/b4-3+.
What are the key properties of 3-methyl-2-[(E)-prop-1-enyl]furan?
3-methyl-2-[(E)-prop-1-enyl]furan has a molecular weight of 122.17 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-prop-1-enyl]furan is sourced from PubChem (CID 59930560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).