1-tert-butyl 2-{6-oxo-6H-benzo[c]chromen-3-yl} (2R)-pyrrolidine-1,2-dicarboxylate

• ChemBase ID: 184382
• Molecular Formular: C23H23NO6
• Molecular Mass: 409.43182
• Monoisotopic Mass: 409.15253746
• SMILES: C(=O)(N1[C@@H](C(=O)Oc2cc3oc(=O)c4c(c3cc2)cccc4)CCC1)OC(C)(C)C
• Canonical SMILES: O=C([C@H]1CCCN1C(=O)OC(C)(C)C)Oc1ccc2c(c1)oc(=O)c1c2cccc1
• InChI: InChI=1S/C23H23NO6/c1-23(2,3)30-22(27)24-12-6-9-18(24)21(26)28-14-10-11-16-15-7-4-5-8-17(15)20(25)29-19(16)13-14/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3/t18-/m1/s1
• InChIKey: DUIZSHBYYXFBMU-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl 2-{6-oxo-6H-benzo[c]chromen-3-yl} (2R)-pyrrolidine-1,2-dicarboxylate
• IUPAC Traditional name: 1-tert-butyl 2-{6-oxobenzo[c]chromen-3-yl} (2R)-pyrrolidine-1,2-dicarboxylate

Database IDs

• PubChem SID: 164240292
• PubChem CID: 980773

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9419858
• LogD (pH = 7.4): 3.9419858
• Log P: 3.9419858
• Molar Refractivity: 108.4872 cm^3
• Polarizability: 43.44325 Å^3
• Polar Surface Area: 82.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds