(R)-4-(2-(1-Ethyl-1H-pyrrol-2-yl)ethyl)-4-methyloxazolidin-2-one
Basic information
- CAS
566938-47-4- Standard SMILES
CCn1cccc1CC[C@]1(C)COC(=O)N1- InChIKey
QAIAHWFWCGQRLF-GFCCVEGCSA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
Names & identifiers
- Preferred name
- (R)-4-(2-(1-Ethyl-1H-pyrrol-2-yl)ethyl)-4-methyloxazolidin-2-one
- IUPAC
- (4R)-4-[2-(1-ethylpyrrol-2-yl)ethyl]-4-methyl-1,3-oxazolidin-2-one
- English name
- 2-Oxazolidinone,4-[2-(1-ethyl-1H-pyrrol-2-yl)ethyl]-4-methyl-,(4R)-(9CI)
- Molecular formula
- C12H18N2O2
- Molecular weight
- 222.28
Names & synonyms
566938-47-4(R)-4-(2-(1-Ethyl-1H-pyrrol-2-yl)ethyl)-4-methyloxazolidin-2-oneSCHEMBL385579QAIAHWFWCGQRLF-GFCCVEGCSA-N(4R)-4-Methyl-4-[2-(1-ethylpyrrol-2-yl) ethyl]-1,3-oxazolidin-2-one(4R)-4-Methyl-4-[2-(1-ethylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one2-Oxazolidinone, 4-[2-(1-ethyl-1H-pyrrol-2-yl)ethyl]-4-methyl-, (4R)-2-Oxazolidinone,4-[2-(1-ethyl-1H-pyrrol-2-yl)ethyl]-4-methyl-,(4R)-(9CI)
Database identifiers
- CAS
566938-47-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 422.3 · 422.3±14.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 12.83 · 12.83±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…