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methyl 1'-benzyl-2-oxo-1H-spiro[indole-3,2'-pyrrolidine]-4'-carboxylate

methyl 1'-benzyl-2-oxo-1H-spiro[indole-3,2'-pyrrolidine]-4'-carboxylate

CAS: 1261079-75-7

Formula: C20H20N2O3

SMILES: COC(=O)C1CN(CC2=CC=CC=C2)C2(C1)C(=O)NC1=CC=CC=C21

IUPAC: methyl 1'-benzyl-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-4'-carboxylate

InChI: InChI=1/C20H20N2O3/c1-25-18(23)15-11-20(16-9-5-6-10-17(16)21-19(20)24)22(13-15)12-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H,21,24)

Composition: C (71.41%), H (5.99%), N (8.33%), O (14.27%)

Molar Mass: 336.391

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 336.147392512
Formal Charge 0
FSP3 0.3
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LTHUKCPBBFCJFO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.62
Topological Polar Surface Area 58.64
Polarizability 36.68
Ring Count 4
Rotatable Bond Count 4

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