(2S)-5-oxo-2H-furan-2-carbaldehyde

C5H4O3 — CID 163953741

IUPAC(2S)-5-oxo-2H-furan-2-carbaldehyde
SMILESO=C[C@@H]1C=CC(=O)O1
InChIInChI=1S/C5H4O3/c6-3-4-1-2-5(7)8-4/h1-4H/t4-/m0/s1
InChIKeySBOOCBXIQDQTMP-BYPYZUCNSA-N
MW112.08 g/mol
LogP-0.33
Rot. Bonds1

About (2S)-5-oxo-2H-furan-2-carbaldehyde

(2S)-5-oxo-2H-furan-2-carbaldehyde (PubChem CID 163953741) has the molecular formula C5H4O3 and a molecular weight of 112.08 g/mol. Its IUPAC name is (2S)-5-oxo-2H-furan-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-5-oxo-2H-furan-2-carbaldehyde
PubChem CID163953741
Molecular FormulaC5H4O3
Molecular Weight112.08 g/mol
Exact Mass112.02
IUPAC Name(2S)-5-oxo-2H-furan-2-carbaldehyde
SMILESO=C[C@@H]1C=CC(=O)O1
InChIInChI=1S/C5H4O3/c6-3-4-1-2-5(7)8-4/h1-4H/t4-/m0/s1
InChIKeySBOOCBXIQDQTMP-BYPYZUCNSA-N
XLogP-0.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.08
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-2H-furan-5-one
CID 11073352
3-(5-oxo-2H-furan-2-yl)propanal
CID 86229891
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
CID 14056133
6-fluoro-2H-chromene-2-carbaldehyde
CID 163426589
(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
CID 13391762
2-(tert-butylamino)-2H-furan-5-one
CID 18520736
(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
3-hydroxy-2-penta-1,3-dienyl-2,3-dihydropyran-6-one
CID 162815938
2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one
CID 15054605
3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one
CID 78411930
2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
2-trimethylsilyloxy-2H-furan-5-one
CID 91749621

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-2H-furan-2-carbaldehyde?
The IUPAC name of (2S)-5-oxo-2H-furan-2-carbaldehyde (CID 163953741) is (2S)-5-oxo-2H-furan-2-carbaldehyde.
What is the SMILES notation for (2S)-5-oxo-2H-furan-2-carbaldehyde?
The canonical SMILES for (2S)-5-oxo-2H-furan-2-carbaldehyde is O=C[C@@H]1C=CC(=O)O1.
What is the InChIKey of (2S)-5-oxo-2H-furan-2-carbaldehyde?
The InChIKey is SBOOCBXIQDQTMP-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H4O3/c6-3-4-1-2-5(7)8-4/h1-4H/t4-/m0/s1.
What are the key properties of (2S)-5-oxo-2H-furan-2-carbaldehyde?
(2S)-5-oxo-2H-furan-2-carbaldehyde has a molecular weight of 112.08 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-2H-furan-2-carbaldehyde is sourced from PubChem (CID 163953741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).