4-methyl-2-oxo-2H-chromen-7-yl (2R)-pyrrolidine-2-carboxylate hydrochloride

• ChemBase ID: 183069
• Molecular Formular: C15H16ClNO4
• Molecular Mass: 309.74484
• Monoisotopic Mass: 309.07678568
• SMILES: c12oc(=O)cc(c1ccc(c2)OC(=O)[C@@H]1NCCC1)C.Cl
• Canonical SMILES: O=C([C@H]1CCCN1)Oc1ccc2c(c1)oc(=O)cc2C.Cl
• InChI: InChI=1S/C15H15NO4.ClH/c1-9-7-14(17)20-13-8-10(4-5-11(9)13)19-15(18)12-3-2-6-16-12;/h4-5,7-8,12,16H,2-3,6H2,1H3;1H/t12-;/m1./s1
• InChIKey: NZJDJIRXQJDPIN-UTONKHPSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-oxo-2H-chromen-7-yl (2R)-pyrrolidine-2-carboxylate hydrochloride
• IUPAC Traditional name: 4-methyl-2-oxochromen-7-yl (2R)-pyrrolidine-2-carboxylate hydrochloride

Database IDs

• PubChem SID: 164238979
• PubChem CID: 52993282

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2466598
• LogD (pH = 7.4): 1.6506315
• Log P: 1.8162194
• Molar Refractivity: 72.3836 cm^3
• Polarizability: 28.303251 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds