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tert-butyl 2'-oxo-1'H-spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate

tert-butyl 2'-oxo-1'H-spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate

CAS: 1603067-54-4

Formula: C16H21N3O3

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC1=C2C=CN=C1

IUPAC: tert-butyl 2'-oxo-1',2'-dihydrospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate

InChI: InChI=1S/C16H21N3O3/c1-15(2,3)22-14(21)19-8-5-16(6-9-19)11-4-7-17-10-12(11)18-13(16)20/h4,7,10H,5-6,8-9H2,1-3H3,(H,18,20)

Composition: C (63.35%), H (6.98%), N (13.85%), O (15.82%)

Molar Mass: 303.362

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 303.158291548
Formal Charge 0
FSP3 0.56
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XYSKIRJLAHQPQT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.73
Topological Polar Surface Area 71.53
Polarizability 31.36
Ring Count 3
Rotatable Bond Count 2

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