Basic information
- CAS
72765-50-5- Standard SMILES
C=C1CC(N2CCCCC2)=C(O)C1=O- InChIKey
BQDAMYSDZKDALB-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 2-hydroxy-5-methylene-3-(1-piperidinyl)-
- IUPAC
- 2-hydroxy-5-methylidene-3-piperidin-1-ylcyclopent-2-en-1-one
- English name
- 2-Hydroxy-5-methylene-3-(1-piperidinyl)-2-cyclopenten-1-one
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
72765-50-52-Cyclopenten-1-one, 2-hydroxy-5-methylene-3-(1-piperidinyl)-2-Hydroxy-5-methylene-3-(1-piperidino)-2-cyclopentene-1-oneDTXSID7072591RefChem:470968DTXCID4047335BQDAMYSDZKDALB-UHFFFAOYSA-N2-HYDROXY-5-METHYLIDENE-3-(PIPERIDIN-1-YL)CYCLOPENT-2-EN-1-ONE2-Hydroxy-5-methylene-3-(1-piperidinyl)-2-cyclopenten-1-one
Database identifiers
- CAS
72765-50-5- PubChem CID
- 3085697
- DTXSID
DTXSID7072591- Nikkaji
- J441.541H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 343.4 · 343.4±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 10.23 · 10.23±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Cyclopenten-1-one, 2-hydroxy-5-methylene-3-(1-piperidinyl)- (72765-50-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclopenten-1-one, 2-hydroxy-5-methylene-3-(1-piperidinyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…