ChemSpider 2D Image | (2S,4R)-4-Methyl-3,4-dihydro-2H-pyrrole-2-carboxylate | C6H8NO2

(2S,4R)-4-Methyl-3,4-dihydro-2H-pyrrole-2-carboxylate

  • Molecular FormulaC6H8NO2
  • Average mass126.134 Da
  • Monoisotopic mass126.056053 Da
  • ChemSpider ID128920463

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-4-Methyl-3,4-dihydro-2H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
(2S,4R)-4-Methyl-3,4-dihydro-2H-pyrrole-2-carboxylate [ACD/IUPAC Name]
(2S,4R)-4-Méthyl-3,4-dihydro-2H-pyrrole-2-carboxylate [French] [ACD/IUPAC Name]
2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-4-methyl-, ion(1-), (2S,4R)- [ACD/Index Name]
3-methyl-&δ;1-pyrroline-5-carboxylic acid
3-methyl-pyrroline-5-carboxylate
3-methyl-pyrroline-5-carboxylic acid

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

Density:
Boiling Point: 291.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.4±6.0 kJ/mol
Flash Point: 129.8±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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