3-propan-2-ylidenefuran

C7H10O — CID 58926292

IUPAC3-propan-2-ylidenefuran
SMILESCC(C)=C1C=COC1
InChIInChI=1S/C7H10O/c1-6(2)7-3-4-8-5-7/h3-4H,5H2,1-2H3
InChIKeyJFDUPFANJYRSGU-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.87
Rot. Bonds

About 3-propan-2-ylidenefuran

3-propan-2-ylidenefuran (PubChem CID 58926292) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-propan-2-ylidenefuran.

Molecular Properties

Compound Name3-propan-2-ylidenefuran
PubChem CID58926292
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-propan-2-ylidenefuran
SMILESCC(C)=C1C=COC1
InChIInChI=1S/C7H10O/c1-6(2)7-3-4-8-5-7/h3-4H,5H2,1-2H3
InChIKeyJFDUPFANJYRSGU-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylidenefuran?
The IUPAC name of 3-propan-2-ylidenefuran (CID 58926292) is 3-propan-2-ylidenefuran.
What is the SMILES notation for 3-propan-2-ylidenefuran?
The canonical SMILES for 3-propan-2-ylidenefuran is CC(C)=C1C=COC1.
What is the InChIKey of 3-propan-2-ylidenefuran?
The InChIKey is JFDUPFANJYRSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6(2)7-3-4-8-5-7/h3-4H,5H2,1-2H3.
What are the key properties of 3-propan-2-ylidenefuran?
3-propan-2-ylidenefuran has a molecular weight of 110.16 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidenefuran is sourced from PubChem (CID 58926292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).