tert-butyl 5-nitro-2-oxo-1H-spiro[indole-3,4'-piperidine]-1'-carboxylate

tert-butyl 5-nitro-2-oxo-1H-spiro[indole-3,4'-piperidine]-1'-carboxylate

CAS: 2089301-60-8

Formula: C17H21N3O5

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC1=C2C=C(C=C1)[N+]([O-])=O

IUPAC: tert-butyl 5-nitro-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate

InChI: InChI=1S/C17H21N3O5/c1-16(2,3)25-15(22)19-8-6-17(7-9-19)12-10-11(20(23)24)4-5-13(12)18-14(17)21/h4-5,10H,6-9H2,1-3H3,(H,18,21)

Composition: C (58.78%), H (6.09%), N (12.10%), O (23.03%)

Molar Mass: 347.371

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	347.148120788
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PEFQNQAJNHUFQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.21
Topological Polar Surface Area	101.78
Polarizability	34.18
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2089301-60-8		$1,039.06$1,039.06