ChemSpider 2D Image | (3R,8aR)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C10H16N2O2

(3R,8aR)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC10H16N2O2
  • Average mass196.246 Da
  • Monoisotopic mass196.121185 Da
  • ChemSpider ID23339709

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,8aR)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3R,8aR)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3R,8aR)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-, (3R,8aR)- [ACD/Index Name]
(3R,8aR)-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
(3R,8aR)-3-(propan-2-yl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione
22155-59-5 [RN]
cyclo(D)-Pro-(D)-Val
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460243/
MFCD24602089

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 420.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.2±25.7 °C
Index of Refraction: 1.535
Molar Refractivity: 52.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.92
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.92
Polar Surface Area: 49 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 166.9±5.0 cm3

Click to predict properties on the Chemicalize site


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