3-(5-oxo-2H-furan-2-yl)propanal

C7H8O3 — CID 86229891

IUPAC3-(5-oxo-2H-furan-2-yl)propanal
SMILESO=CCCC1C=CC(=O)O1
InChIInChI=1S/C7H8O3/c8-5-1-2-6-3-4-7(9)10-6/h3-6H,1-2H2
InChIKeyIXFXGYOMHJWFBC-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.45
Rot. Bonds3

About 3-(5-oxo-2H-furan-2-yl)propanal

3-(5-oxo-2H-furan-2-yl)propanal (PubChem CID 86229891) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(5-oxo-2H-furan-2-yl)propanal.

Molecular Properties

Compound Name3-(5-oxo-2H-furan-2-yl)propanal
PubChem CID86229891
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name3-(5-oxo-2H-furan-2-yl)propanal
SMILESO=CCCC1C=CC(=O)O1
InChIInChI=1S/C7H8O3/c8-5-1-2-6-3-4-7(9)10-6/h3-6H,1-2H2
InChIKeyIXFXGYOMHJWFBC-UHFFFAOYSA-N
XLogP0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-oxo-2H-furan-2-yl)propanal 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-hydroxyethyl)-2H-furan-5-one
CID 11535562
2-(3-methyl-2-methylidenebutyl)-2H-furan-5-one
CID 544001
2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
2-benzyl-2H-furan-5-one
CID 13297886
(2S)-5-oxo-2H-furan-2-carbaldehyde
CID 163953741
(2R)-2-[(6S,7S)-7-hydroxy-6-methyloctyl]-2H-furan-5-one
CID 100582847
(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
CID 13391762
(2S)-2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
CID 10799274
2-(phenoxymethyl)-2H-furan-5-one
CID 11275514
[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate
CID 62705949
(2S)-2-hydroxy-2H-furan-5-one
CID 11073352
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
CID 14056133

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-2H-furan-2-yl)propanal?
The IUPAC name of 3-(5-oxo-2H-furan-2-yl)propanal (CID 86229891) is 3-(5-oxo-2H-furan-2-yl)propanal.
What is the SMILES notation for 3-(5-oxo-2H-furan-2-yl)propanal?
The canonical SMILES for 3-(5-oxo-2H-furan-2-yl)propanal is O=CCCC1C=CC(=O)O1.
What is the InChIKey of 3-(5-oxo-2H-furan-2-yl)propanal?
The InChIKey is IXFXGYOMHJWFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-5-1-2-6-3-4-7(9)10-6/h3-6H,1-2H2.
What are the key properties of 3-(5-oxo-2H-furan-2-yl)propanal?
3-(5-oxo-2H-furan-2-yl)propanal has a molecular weight of 140.14 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-2H-furan-2-yl)propanal is sourced from PubChem (CID 86229891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).