(R)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Basic information
- CAS
96193-26-9- Standard SMILES
O=C1NCC(=O)N2CCC[C@H]12- InChIKey
OWOHLURDBZHNGG-RXMQYKEDSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Overview
(8aR)-1-hydroxy-3H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one has been reported in Streptomyces malaysiense and Streptomyces malaysiensis with data available.
Names & identifiers
- Preferred name
- (R)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
- IUPAC
- (8aR)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
- English name
- Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-, (8aR)- (9CI)
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
96193-26-9(R)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneMFCD14636653(8aR)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione(8aR)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione(8aR)-octahydropyrrolo[1,2-a]piperazine-1,4-dionePyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-, (R)-SCHEMBL4243772CHEMBL3792710OWOHLURDBZHNGG-RXMQYKEDSA-NEBC-47339AKOS022171461
Show more names
Cyclo-D-prolylglycine(R)-(+)-1,4-diazabicyclononane-2,5-dione(8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONEPyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-, (8aR)-Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-, (8aR)- (9CI)
AS-68534SY259692CS-0046916(R)-Hexahydropyrrolo[12-a]pyrazine-14-dioneP11747EN300-7413944(8aR)perhydropyrrolo[1,2-alpha]pyrazine-1,4-dioneZ1255467122
Database identifiers
- CAS
96193-26-9
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 205 · 205-208℃
- Boiling point
- 447.9 · 447.9±34.0 °C(Predicted)
- Density
- 1.32 · 1.32
- storage temp.
- 2 · 2-8°C
- pka
- 13.21 · 13.21±0.20(Predicted)
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Related reactions
1 records
Compound notes
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