tert-butyl 7-(6-nitropyridin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate

tert-butyl 7-(6-nitropyridin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate

Formula: C16H22N4O4

SMILES: CC(C)(C)OC(=O)N1CCN(CC11CC1)C1=CN=C(C=C1)[N+]([O-])=O

IUPAC: tert-butyl 7-(6-nitropyridin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate

InChI: InChI=1S/C16H22N4O4/c1-15(2,3)24-14(21)19-9-8-18(11-16(19)6-7-16)12-4-5-13(17-10-12)20(22)23/h4-5,10H,6-9,11H2,1-3H3

Composition: C (57.47%), H (6.63%), N (16.76%), O (19.14%)

Molar Mass: 334.376

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	334.164105204
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	JGFACMOFRHDKKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.82
Topological Polar Surface Area	88.81
Polarizability	33.23
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H22N4O4		Quote Only