(R)-5-Oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carbaldehyde
Basic information
- CAS
252051-12-0- Standard SMILES
C[C@H](c1ccccc1)N1C[C@H](C=O)CC1=O- InChIKey
PDZTVJWNDHOJNS-GHMZBOCLSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- (R)-5-Oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carbaldehyde
- IUPAC
- (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbaldehyde
- English name
- (R)-5-Oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carbaldehyde
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
(R)-5-Oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carbaldehyde252051-12-0SCHEMBL10195871DTXSID30572609(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbaldehydeDB-3448703-Pyrrolidinecarboxaldehyde, 5-oxo-1-[(1R)-1-phenylethyl]-, (3R)-
Database identifiers
- CAS
252051-12-0- PubChem CID
- 15420164
- DTXSID
DTXSID30572609
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 393.4 · 393.4±42.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.77 · -1.77±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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