CIS-5-BENZYL-2-BOC-HEXAHYDROPYRROLO[3,4-C]PYRROLE (370879-56-4)

The IUPAC name of cis-5-Benzyl-2-Boc-hexahydropyrrolo[3,4-c]pyrrole is tert-butyl(3aS,6aR)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate. With the CAS registry number 370879-56-4, it is also named as tert-Butyl (3aR,6aS)-5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate. The product's category is pharmacetical. Moreover, its molecular formula is C₁₈H₂₆N₂O₂ and its molecular weight is 302.41. 

The other characteristics of cis-5-Benzyl-2-Boc-hexahydropyrrolo[3,4-c]pyrrole can be summarized as: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 28.53; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 86.83 cm³; (15)Molar Volume: 270.5 cm³; (16)Polarizability: 34.42×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.117 g/cm³; (19)Flash Point: 191.7 °C; (20)Enthalpy of Vaporization: 64.33 kJ/mol; (21)Boiling Point: 393.4 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC(C)(C)C)N3C[C@@H]2CN(Cc1ccccc1)C[C@@H]2C3
(2)InChI:InChI=1/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15-10-19(11-16(15)13-20)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16+
(3)InChIKey:WUEVXPVJRUPJLC-IYBDPMFKBH
(4)Std. InChI:InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15-10-19(11-16(15)13-20)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16+
(5)Std. InChIKey:WUEVXPVJRUPJLC-IYBDPMFKSA-N