3-butylidenefuran

C8H12O — CID 91060888

IUPAC3-butylidenefuran
SMILESCCCC=C1C=COC1
InChIInChI=1S/C8H12O/c1-2-3-4-8-5-6-9-7-8/h4-6H,2-3,7H2,1H3
InChIKeyRGCXYKMYCDZEOM-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds2

About 3-butylidenefuran

3-butylidenefuran (PubChem CID 91060888) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-butylidenefuran.

Molecular Properties

Compound Name3-butylidenefuran
PubChem CID91060888
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-butylidenefuran
SMILESCCCC=C1C=COC1
InChIInChI=1S/C8H12O/c1-2-3-4-8-5-6-9-7-8/h4-6H,2-3,7H2,1H3
InChIKeyRGCXYKMYCDZEOM-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-butylidenefuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butylidenefuran?
The IUPAC name of 3-butylidenefuran (CID 91060888) is 3-butylidenefuran.
What is the SMILES notation for 3-butylidenefuran?
The canonical SMILES for 3-butylidenefuran is CCCC=C1C=COC1.
What is the InChIKey of 3-butylidenefuran?
The InChIKey is RGCXYKMYCDZEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-3-4-8-5-6-9-7-8/h4-6H,2-3,7H2,1H3.
What are the key properties of 3-butylidenefuran?
3-butylidenefuran has a molecular weight of 124.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidenefuran is sourced from PubChem (CID 91060888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).