(5R)-5-(Phenylmethyl)-2-pyrrolidinone
Basic information
- CAS
63328-11-0- Standard SMILES
O=C1CC[C@H](Cc2ccccc2)N1- InChIKey
UJTLWBQZNAXBAQ-SNVBAGLBSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- (5R)-5-(Phenylmethyl)-2-pyrrolidinone
- IUPAC
- (5R)-5-benzylpyrrolidin-2-one
- English name
- (5R)-5-(phenylMethyl)-2-Pyrrolidinone
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
63328-11-0(5R)-5-(phenylMethyl)-2-PyrrolidinoneRefChem:209595(5R)-5-benzylpyrrolidin-2-one(R)-5-Benzylpyrrolidin-2-one2-Pyrrolidinone, 5-(phenylmethyl)-, (R)-SCHEMBL19419777DTXSID001288738MFCD23380612SY409646I836152-Pyrrolidinone, 5-(phenylmethyl)-, (5R)-
Database identifiers
- CAS
63328-11-0- PubChem CID
- 740530
- DTXSID
DTXSID001288738- Nikkaji
- J1.340.340F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 56 · 56-58℃
- Boiling point
- 362 · 362.0±11.0 °C(Predicted)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- pka
- 16.62 · 16.62±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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