2,3-dihydrofuran-2-carbaldehyde

C5H6O2 — CID 19878863

IUPAC2,3-dihydrofuran-2-carbaldehyde
SMILESO=CC1CC=CO1
InChIInChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1,3-5H,2H2
InChIKeyJCJWDTDATUGNMV-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.49
Rot. Bonds1

About 2,3-dihydrofuran-2-carbaldehyde

2,3-dihydrofuran-2-carbaldehyde (PubChem CID 19878863) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 2,3-dihydrofuran-2-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydrofuran-2-carbaldehyde
PubChem CID19878863
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name2,3-dihydrofuran-2-carbaldehyde
SMILESO=CC1CC=CO1
InChIInChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1,3-5H,2H2
InChIKeyJCJWDTDATUGNMV-UHFFFAOYSA-N
XLogP0.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.49
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 2,3-dihydrofuran-2-carbaldehyde?
The IUPAC name of 2,3-dihydrofuran-2-carbaldehyde (CID 19878863) is 2,3-dihydrofuran-2-carbaldehyde.
What is the SMILES notation for 2,3-dihydrofuran-2-carbaldehyde?
The canonical SMILES for 2,3-dihydrofuran-2-carbaldehyde is O=CC1CC=CO1.
What is the InChIKey of 2,3-dihydrofuran-2-carbaldehyde?
The InChIKey is JCJWDTDATUGNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1,3-5H,2H2.
What are the key properties of 2,3-dihydrofuran-2-carbaldehyde?
2,3-dihydrofuran-2-carbaldehyde has a molecular weight of 98.10 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-2-carbaldehyde is sourced from PubChem (CID 19878863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).