2-(2-acetyl-3H-furan-2-yl)acetaldehyde

C8H10O3 — CID 141463565

IUPAC2-(2-acetyl-3H-furan-2-yl)acetaldehyde
SMILESCC(=O)C1(CC=O)CC=CO1
InChIInChI=1S/C8H10O3/c1-7(10)8(4-5-9)3-2-6-11-8/h2,5-6H,3-4H2,1H3
InChIKeyIDXWLJLTQMTXOV-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds3

About 2-(2-acetyl-3H-furan-2-yl)acetaldehyde

2-(2-acetyl-3H-furan-2-yl)acetaldehyde (PubChem CID 141463565) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(2-acetyl-3H-furan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-acetyl-3H-furan-2-yl)acetaldehyde
PubChem CID141463565
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-(2-acetyl-3H-furan-2-yl)acetaldehyde
SMILESCC(=O)C1(CC=O)CC=CO1
InChIInChI=1S/C8H10O3/c1-7(10)8(4-5-9)3-2-6-11-8/h2,5-6H,3-4H2,1H3
InChIKeyIDXWLJLTQMTXOV-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-acetyl-3H-furan-2-yl)acetaldehyde?
The IUPAC name of 2-(2-acetyl-3H-furan-2-yl)acetaldehyde (CID 141463565) is 2-(2-acetyl-3H-furan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-acetyl-3H-furan-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-acetyl-3H-furan-2-yl)acetaldehyde is CC(=O)C1(CC=O)CC=CO1.
What is the InChIKey of 2-(2-acetyl-3H-furan-2-yl)acetaldehyde?
The InChIKey is IDXWLJLTQMTXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-7(10)8(4-5-9)3-2-6-11-8/h2,5-6H,3-4H2,1H3.
What are the key properties of 2-(2-acetyl-3H-furan-2-yl)acetaldehyde?
2-(2-acetyl-3H-furan-2-yl)acetaldehyde has a molecular weight of 154.16 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3H-furan-2-yl)acetaldehyde is sourced from PubChem (CID 141463565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).