1-pyrrolidin-1-ylprop-2-en-1-one (CED0200890)

Record Information
Version1.0
Creation Date2026-08-23 18:11:55 UTC
Update Date2026-08-23 18:11:55 UTC
Accession NumberCHEM237316
Identification
Common Name1-pyrrolidin-1-ylprop-2-en-1-one
ClassSmall Molecule
Description
1-pyrrolidin-1-ylprop-2-en-1-one is an organoheterocyclic compound with the formula C7H11NO and an average molecular weight of 125.17 g/mol. 1-pyrrolidin-1-ylprop-2-en-1-one belongs to the n-acylpyrrolidines, a subclass of pyrrolidines within the organic compounds. This substance has been identified in or released from two recorded sources: antennas and discharge lamps, both of which are types of electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H11NO
Average Molecular Mass125.170 g/mol
Monoisotopic Mass125.084 g/mol
CAS Registry Number42104-70-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C7H11NO/c1-2-7(9)8-5-3-4-6-8/h2H,1,3-6H2
InChI KeyWLPAQAXAZQUXBG-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
1316.0Log mg/kg[740:2300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
CXXC-type zinc finger protein 5 structureClick to view 3D structureCXXC-type zinc finger protein 5Q7LFL8HumansPredicted (SEA)0.155698
F-box/LRR-repeat protein 19 structureClick to view 3D structureF-box/LRR-repeat protein 19Q6PCT2HumansPredicted (SEA)0.389246
CXXC-type zinc finger protein 4 structureClick to view 3D structureCXXC-type zinc finger protein 4Q9H2H0HumansPredicted (SEA)0.389246
Transcriptional enhancer factor TEF-5 structureClick to view 3D structureTranscriptional enhancer factor TEF-5Q99594HumansPredicted (SEA)1.01204
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)2267.83
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)2055.22
Lysine-specific demethylase 2A structureClick to view 3D structureLysine-specific demethylase 2AQ9Y2K7HumansPredicted (SEA)33.3195
Quinone oxidoreductase structureClick to view 3D structureQuinone oxidoreductaseQ08257HumansPredicted (SEA)15.1027
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)2110.49
Lysine-specific demethylase 2B structureClick to view 3D structureLysine-specific demethylase 2BQ8NHM5HumansPredicted (SEA)14.0129
Histone-lysine N-methyltransferase 2A structureClick to view 3D structureHistone-lysine N-methyltransferase 2AQ03164HumansPredicted (SEA)11.0546
Tyrosine-protein kinase Tec structureClick to view 3D structureTyrosine-protein kinase TecP42680HumansPredicted (SEA)715.201
Click to view 3D structurePeroxiredoxin-like 2AQ9BRX8HumansPredicted (SEA)56.1293
Tyrosine-protein kinase ITK/TSK structureClick to view 3D structureTyrosine-protein kinase ITK/TSKQ08881HumansPredicted (SEA)1934.63
Cytoplasmic tyrosine-protein kinase BMX structureClick to view 3D structureCytoplasmic tyrosine-protein kinase BMXP51813HumansPredicted (SEA)903.051
Click to view 3D structureTyrosine-protein kinase BlkP51451HumansPredicted (SEA)2054.13
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)3059.55
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)3319.8
Receptor tyrosine-protein kinase erbB-4 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-4Q15303HumansPredicted (SEA)2290.71
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)3286.48
Tyrosine-protein kinase JAK1 structureClick to view 3D structureTyrosine-protein kinase JAK1P23458HumansPredicted (SEA)1651.03
Tyrosine-protein kinase Lyn structureClick to view 3D structureTyrosine-protein kinase LynP07948HumansPredicted (SEA)2606.7
Methylcytosine dioxygenase TET3 structureClick to view 3D structureMethylcytosine dioxygenase TET3O43151HumansPredicted (SEA)10.1204
Tyrosine-protein kinase TXK structureClick to view 3D structureTyrosine-protein kinase TXKP42681HumansPredicted (SEA)832.13
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)2697.4
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available