(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one (CED0167322)

Record Information
Version1.0
Creation Date2026-03-31 18:37:21 UTC
Update Date2026-08-23 14:17:13 UTC
Accession NumberCHEM057279
Identification
Common Name(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
ClassSmall Molecule
Description
(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one is an organic compound with the formula C6H7N1O1 and an average molecular weight of 109.13 g/mol. (1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one belongs to the pyrrolidones, a subclass of pyrrolidines within the organic compounds. This substance is categorized under the superclass of organoheterocyclic compounds. It has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically video games.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H7N1O1
Average Molecular Mass109.128 g/mol
Monoisotopic Mass109.053 g/mol
CAS Registry Number49805-30-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESO=C1N[C@@H]2C[C@H]1C=C2
InChI IdentifierInChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)
InChI KeyDDUFYKNOXPZZIW-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
834.0Log mg/kg[470:1500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
539Video GamesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Thymidine kinase, cytosolic structureClick to view 3D structureThymidine kinase, cytosolicP04183HumansPredicted (SEA)564.407
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)7468.7
Interleukin-1 beta structureClick to view 3D structureInterleukin-1 betaP01584HumansPredicted (SEA)1873.36
Click to view 3D structureGlyceraldehyde-3-phosphate dehydrogenase, cytosolicQ01558Leishmania mexicanaPredicted (SEA)488.27
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7645.34
Poly [ADP-ribose] polymerase 1 structureClick to view 3D structurePoly [ADP-ribose] polymerase 1P09874HumansPredicted (SEA)6978.25
Protein kinase C delta type structureClick to view 3D structureProtein kinase C delta typeQ05655HumansPredicted (SEA)7632.1
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)7227.44
Click to view 3D structureLong-chain fatty acid transport protein 4Q6P1M0HumansPredicted (SEA)337.943
Protein cereblon structureClick to view 3D structureProtein cereblonQ96SW2HumansPredicted (SEA)638.597
Click to view 3D structureZinc finger protein AiolosQ9UKT9HumansPredicted (SEA)171.658
Click to view 3D structureCytochrome P450A0A0T9WNE5Mycobacterium tuberculosisPredicted (SEA)102.527
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)4706.22
Heat shock 70 kDa protein 1A structureClick to view 3D structureHeat shock 70 kDa protein 1AP0DMV8HumansPredicted (SEA)124.014
Click to view 3D structureDual specificity protein phosphatase 6Q64346Rattus norvegicusPredicted (SEA)2635.59
Click to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)4334.02
Tumor necrosis factor structureClick to view 3D structureTumor necrosis factorP01375HumansPredicted (SEA)6196.88
Click to view 3D structurePurine nucleoside phosphorylaseQ2HXR2Toxoplasma gondiiPredicted (SEA)309.295
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansPredicted (SEA)5554.23
Click to view 3D structureSPRY domain-containing SOCS box protein 2O88838Mus musculusPredicted (SEA)294.581
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)6821.23
Click to view 3D structureSodium/iodide cotransporterQ63008Rattus norvegicusPredicted (SEA)1665.35
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)7504.28
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)7005.88
Click to view 3D structureMitochondrial sodium/calcium exchanger proteinQ6J4K2HumansPredicted (SEA)473.245
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available