furan-3-carbaldehyde

C5H4O2 — CID 10351

IUPACfuran-3-carbaldehyde
SMILESO=Cc1ccoc1
InChIInChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
InChIKeyAZVSIHIBYRHSLB-UHFFFAOYSA-N
MW96.08 g/mol
LogP1.09
Rot. Bonds1

About furan-3-carbaldehyde

furan-3-carbaldehyde (PubChem CID 10351) has the molecular formula C5H4O2 and a molecular weight of 96.08 g/mol. Its IUPAC name is furan-3-carbaldehyde.

Molecular Properties

Compound Namefuran-3-carbaldehyde
PubChem CID10351
Molecular FormulaC5H4O2
Molecular Weight96.08 g/mol
Exact Mass96.02
IUPAC Namefuran-3-carbaldehyde
SMILESO=Cc1ccoc1
InChIInChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
InChIKeyAZVSIHIBYRHSLB-UHFFFAOYSA-N
XLogP1.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.08
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-3-carbaldehyde?
The IUPAC name of furan-3-carbaldehyde (CID 10351) is furan-3-carbaldehyde.
What is the SMILES notation for furan-3-carbaldehyde?
The canonical SMILES for furan-3-carbaldehyde is O=Cc1ccoc1.
What is the InChIKey of furan-3-carbaldehyde?
The InChIKey is AZVSIHIBYRHSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H.
What are the key properties of furan-3-carbaldehyde?
furan-3-carbaldehyde has a molecular weight of 96.08 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbaldehyde is sourced from PubChem (CID 10351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).