Found 10 results

Search term: ZDACRNZBFJOLTC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,8aS)-3-[(2R)-2-Butanyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C11H18N2O2

(3R,8aS)-3-[(2R)-2-Butanyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC11H18N2O2
  • Average mass210.273 Da
  • Monoisotopic mass210.136826 Da
  • ChemSpider ID23339720

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,8aS)-3-[(2R)-2-Butanyl]hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3R,8aS)-3-[(2R)-2-Butanyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3R,8aS)-3-[(2R)-2-Butanyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[(1R)-1-methylpropyl]-, (3R,8aS)- [ACD/Index Name]
(3R,8aS)-3-[(2R)-butan-2-yl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
cyclo(L)-Pro-(D)-Ile
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449821/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 427.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 212.1±25.7 °C
Index of Refraction: 1.530
Molar Refractivity: 56.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.33
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.33
Polar Surface Area: 49 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 183.2±5.0 cm3

Click to predict properties on the Chemicalize site


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