(5S)-3-methoxy-5-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
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Basic information
- CAS
204919-82-4- Standard SMILES
COC1=N[C@@H](C(C)C)C(=O)NC1- InChIKey
PZPKIPZINKRHCB-ZETCQYMHSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
Names & identifiers
- Preferred name
- (5S)-3-methoxy-5-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
- IUPAC
- (5S)-3-methoxy-5-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
- English name
- 2(1H)-Pyrazinone,3,6-dihydro-5-methoxy-3-(1-methylethyl)-,(S)-(9CI)
- Molecular formula
- C8H14N2O2
- Molecular weight
- 170.21
Names & synonyms
2(1H)-Pyrazinone, 3,6-dihydro-5-methoxy-3-(1-methylethyl)-, (3S)-2(1H)-Pyrazinone,3,6-dihydro-5-methoxy-3-(1-methylethyl)-,(S)-(9CI)
Database identifiers
- CAS
204919-82-4- Nikkaji
- J922.367C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 322.1 · 322.1±35.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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