ethyl 1-benzyl-3-methylpyrrolidine-3-carboxylate

ethyl 1-benzyl-3-methylpyrrolidine-3-carboxylate

CAS: 1217186-47-4

Formula: C15H21NO2

SMILES: CCOC(=O)C1(C)CCN(CC2=CC=CC=C2)C1

IUPAC: ethyl 1-benzyl-3-methylpyrrolidine-3-carboxylate

InChI: InChI=1/C15H21NO2/c1-3-18-14(17)15(2)9-10-16(12-15)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3

Composition: C (72.84%), H (8.56%), N (5.66%), O (12.94%)

Molar Mass: 247.338

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	247.15722892
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XJLXCWSDKBSPLI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.25
Topological Polar Surface Area	29.54
Polarizability	28.47
Ring Count	2
Rotatable Bond Count	5

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