tert-butyl 3-phenylpyrrolidine-1-carboxylate

tert-butyl 3-phenylpyrrolidine-1-carboxylate

CAS: 147410-43-3

Formula: C15H21NO2

SMILES: CC(C)(C)OC(=O)N1CCC(C1)C1=CC=CC=C1

IUPAC: tert-butyl 3-phenylpyrrolidine-1-carboxylate

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

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	1
Hydrogen Bond Donor Count	0
InChIKey	REGWJCQNMMXFBM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.8
Topological Polar Surface Area	29.54
Polarizability	28.07
Ring Count	2
Rotatable Bond Count	3

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