ChemSpider 2D Image | (4S)-8-Chloro-4'-methyl-4-(methylamino)-3,4-dihydro-1H,5'H-spiro[benzo[cd]indole-5,2'-furan]-5'-one | C16H15ClN2O2

(4S)-8-Chloro-4'-methyl-4-(methylamino)-3,4-dihydro-1H,5'H-spiro[benzo[cd]indole-5,2'-furan]-5'-one

  • Molecular FormulaC16H15ClN2O2
  • Average mass302.755 Da
  • Monoisotopic mass302.082214 Da
  • ChemSpider ID21269944
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S)-8-Chloro-4'-methyl-4-(methylamino)-3,4-dihydro-1H,5'H-spiro[benzo[cd]indole-5,2'-furan]-5'-one [ACD/IUPAC Name]
59787-45-0 [RN]
Spiro[benz[cd]indole-5(1H),2'(5'H)-furan]-5'-one, 8-chloro-3,4-dihydro-4'-methyl-4-(methylamino)-, (4S)- [ACD/Index Name]
8-Chlororugulovasine A
Spiro(benz(cd)indole-5(1H),2'(5'H)-furan)-5'-one, 3,4-dihydro-8-chloro-4'-methyl-4-(methylamino)-, cis-(±)-
Toxin B (Penicillium islandicum)

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

L5FM3F581N [DBID]
UNII:L5FM3F581N [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 568.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 4.04
ACD/KOC (pH 7.4): 38.89
Polar Surface Area: 54 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 212.7±5.0 cm3

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