3-ethynylfuran

C6H4O — CID 11105310

IUPAC3-ethynylfuran
SMILESC#Cc1ccoc1
InChIInChI=1S/C6H4O/c1-2-6-3-4-7-5-6/h1,3-5H
InChIKeyBTDQYXZCWSUPOK-UHFFFAOYSA-N
MW92.10 g/mol
LogP1.26
Rot. Bonds

About 3-ethynylfuran

3-ethynylfuran (PubChem CID 11105310) has the molecular formula C6H4O and a molecular weight of 92.10 g/mol. Its IUPAC name is 3-ethynylfuran.

Molecular Properties

Compound Name3-ethynylfuran
PubChem CID11105310
Molecular FormulaC6H4O
Molecular Weight92.10 g/mol
Exact Mass92.03
IUPAC Name3-ethynylfuran
SMILESC#Cc1ccoc1
InChIInChI=1S/C6H4O/c1-2-6-3-4-7-5-6/h1,3-5H
InChIKeyBTDQYXZCWSUPOK-UHFFFAOYSA-N
XLogP1.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethynylfuran?
The IUPAC name of 3-ethynylfuran (CID 11105310) is 3-ethynylfuran.
What is the SMILES notation for 3-ethynylfuran?
The canonical SMILES for 3-ethynylfuran is C#Cc1ccoc1.
What is the InChIKey of 3-ethynylfuran?
The InChIKey is BTDQYXZCWSUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O/c1-2-6-3-4-7-5-6/h1,3-5H.
What are the key properties of 3-ethynylfuran?
3-ethynylfuran has a molecular weight of 92.10 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynylfuran is sourced from PubChem (CID 11105310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).