ChemSpider 2D Image | (S)-methylenedioxypyrovalerone | C16H21NO3

(S)-methylenedioxypyrovalerone

  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID32800898
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-pentanon [German] [ACD/IUPAC Name]
(2S)-1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-pentanone [ACD/IUPAC Name]
(2S)-1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-pentanone [French] [ACD/IUPAC Name]
(S)-methylenedioxypyrovalerone
1388142-28-6 [RN]
1-Pentanone, 1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)-, (2S)- [ACD/Index Name]
687603-66-3 [RN]
Methylenedioxypyrovalerone [Wiki]
METHYLENEDIOXYPYROVALERONE, (S)-
UNII-E7LD6JMR0L

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

5V821662QF [DBID]
UNII:5V821662QF [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 415.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.1±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 59.65
Polar Surface Area: 39 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 235.5±3.0 cm3

Click to predict properties on the Chemicalize site






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