3H-Oxazolo[3,4-a]pyrazin-3-one,7-ethylhexahydro-
Basic information
- CAS
57493-38-6- Standard SMILES
CCN1CCN2C(=O)OCC2C1- InChIKey
SGXADSKBQHIQTF-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.10552769
Names & identifiers
- Preferred name
- 3H-Oxazolo[3,4-a]pyrazin-3-one,7-ethylhexahydro-
- IUPAC
- 7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
- English name
- 3H-Oxazolo[3,4-a]pyrazin-3-one,7-ethylhexahydro-(9CI)
- Molecular formula
- C8H14N2O2
- Molecular weight
- 170.21
Names & synonyms
57493-38-63H-Oxazolo[3,4-a]pyrazin-3-one,7-ethylhexahydro-NSC147950SCHEMBL15451877DTXSID00302011NSC-147950DB-2536237-Ethylhexahydro-3H-oxazolo[3,4-a]pyrazin-3-one7-Ethylhexahydro-3H-[1,3]oxazolo[3,4-a]pyrazin-3-one7-ETHYLHEXAHYDRO[1,3]OXAZOLO[3,4-A]PYRAZIN-3-ONE3H-Oxazolo[3,4-a]pyrazin-3-one, 7-ethylhexahydro-3H-Oxazolo[3,4-a]pyrazin-3-one,7-ethylhexahydro-(9CI)
Database identifiers
- CAS
57493-38-6- PubChem CID
- 287797
- DTXSID
DTXSID00302011
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 333.2 · 333.2±41.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 8.8 · 8.80±0.20(Predicted)
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Related reactions
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Compound notes
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