(2R)-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]-6-yl 2-methylpropanoate

• ChemBase ID: 185935
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: [C@]12(N(c3c(C1(C)C)cccc3)C)Oc1c(C=C2)cc(OC(=O)C(C)C)cc1
• Canonical SMILES: O=C(C(C)C)Oc1ccc2c(c1)C=C[C@]1(O2)N(C)c2c(C1(C)C)cccc2
• InChI: InChI=1S/C23H25NO3/c1-15(2)21(25)26-17-10-11-20-16(14-17)12-13-23(27-20)22(3,4)18-8-6-7-9-19(18)24(23)5/h6-15H,1-5H3/t23-/m1/s1
• InChIKey: FCKATFUXLOPKQT-HSZRJFAPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]-6-yl 2-methylpropanoate
• IUPAC Traditional name: (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl 2-methylpropanoate

Database IDs

• PubChem SID: 164241845
• PubChem CID: 7064943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.2803125
• LogD (pH = 7.4): 6.2803125
• Log P: 6.2803125
• Molar Refractivity: 107.2703 cm^3
• Polarizability: 41.031807 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds