(3R,4S)-3-[(S)-Hydroxyphenylmethyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)-2-pyrrolidinone
Basic information
- CAS
50656-83-2- Standard SMILES
CN1C[C@@H](c2cn(C)cn2)[C@H]([C@H](O)c2ccccc2)C1=O- InChIKey
UJMVRXMFOYOOMI-NWANDNLSSA-N- Molecular formula
- C16H19N3O2
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.14772686
Overview
Cynometrine is a member of imidazoles.
Names & identifiers
- Preferred name
- (3R,4S)-3-[(S)-Hydroxyphenylmethyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)-2-pyrrolidinone
- IUPAC
- (3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
- English name
- (3R,4S)-3-[(S)-hydroxy-phenyl-methyl]-1-methyl-4-(1-methylimidazol-4-y l)pyrrolidin-2-one
- Molecular formula
- C16H19N3O2
- Molecular weight
- 285.34
Names & synonyms
50656-83-2(3R,4S)-3-((S)-Hydroxyphenylmethyl)-1-methyl-4-(1-methyl-1H-imidazol-4-yl)-2-pyrrolidinone(3R,4S)-3-[(S)-Hydroxyphenylmethyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)-2-pyrrolidinoneRefChem:208171Cynometrine(3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-oneC10587CHEBI:4039SCHEMBL29009339DTXSID00964895(3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)pyrrolidin-2-oneDB-222984
Show more names
2-Pyrrolidinone, 3-[(S)-hydroxyphenylmethyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)-, (3R,4S)-
Q271062923-[Hydroxy(phenyl)methyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one(3R,4S)-3-[(S)-hydroxy-phenyl-methyl]-1-methyl-4-(1-methylimidazol-4-y l)pyrrolidin-2-one(3R,4S)-3-[(S)-HYDROXY-PHENYL-METHYL]-1-METHYL-4-(1-METHYLIMIDAZOL-4-YL)PYRROLIDIN-2-ONE
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 561.1 · 561.1±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 13.51 · 13.51±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Cynometrine is a member of imidazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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