3-acetyl-2,3-dihydrofuran-2-carbaldehyde

C7H8O3 — CID 174487637

IUPAC3-acetyl-2,3-dihydrofuran-2-carbaldehyde
SMILESCC(=O)C1C=COC1C=O
InChIInChI=1S/C7H8O3/c1-5(9)6-2-3-10-7(6)4-8/h2-4,6-7H,1H3
InChIKeyDPBLOHAKNMTTIF-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.30
Rot. Bonds2

About 3-acetyl-2,3-dihydrofuran-2-carbaldehyde

3-acetyl-2,3-dihydrofuran-2-carbaldehyde (PubChem CID 174487637) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-acetyl-2,3-dihydrofuran-2-carbaldehyde.

Molecular Properties

Compound Name3-acetyl-2,3-dihydrofuran-2-carbaldehyde
PubChem CID174487637
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name3-acetyl-2,3-dihydrofuran-2-carbaldehyde
SMILESCC(=O)C1C=COC1C=O
InChIInChI=1S/C7H8O3/c1-5(9)6-2-3-10-7(6)4-8/h2-4,6-7H,1H3
InChIKeyDPBLOHAKNMTTIF-UHFFFAOYSA-N
XLogP0.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-acetyl-2,3-dihydrofuran-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-acetyl-3H-furan-2-yl)acetaldehyde
CID 141463565
3,4-dihydro-2H-pyran-2,3-dicarbaldehyde
CID 153812273
3,4-Dimethyl-2,3-dihydrofuran-2-carbaldehyde
CID 174550342
2-(2-Methyl-2,3-dihydrofuran-3-yl)-2-oxoacetaldehyde
CID 174958070
1-(2-Methyl-2,3-dihydrofuran-3-yl)ethanone
CID 101032353

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2,3-dihydrofuran-2-carbaldehyde?
The IUPAC name of 3-acetyl-2,3-dihydrofuran-2-carbaldehyde (CID 174487637) is 3-acetyl-2,3-dihydrofuran-2-carbaldehyde.
What is the SMILES notation for 3-acetyl-2,3-dihydrofuran-2-carbaldehyde?
The canonical SMILES for 3-acetyl-2,3-dihydrofuran-2-carbaldehyde is CC(=O)C1C=COC1C=O.
What is the InChIKey of 3-acetyl-2,3-dihydrofuran-2-carbaldehyde?
The InChIKey is DPBLOHAKNMTTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5(9)6-2-3-10-7(6)4-8/h2-4,6-7H,1H3.
What are the key properties of 3-acetyl-2,3-dihydrofuran-2-carbaldehyde?
3-acetyl-2,3-dihydrofuran-2-carbaldehyde has a molecular weight of 140.14 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2,3-dihydrofuran-2-carbaldehyde is sourced from PubChem (CID 174487637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).