tert-butyl 11-azatricyclo[6.2.1.0²,?]undeca-2,4,6,9-tetraene-11-carboxylate

tert-butyl 11-azatricyclo[6.2.1.0²,?]undeca-2,4,6,9-tetraene-11-carboxylate

CAS: 5176-28-3

Formula: C15H17NO2

SMILES: CC(C)(C)OC(=O)N1C2C=CC1C1=CC=CC=C21

IUPAC: tert-butyl 11-azatricyclo[6.2.1.0²,?]undeca-2,4,6,9-tetraene-11-carboxylate

InChI: InChI=1/C15H17NO2/c1-15(2,3)18-14(17)16-12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,12-13H,1-3H3

Composition: C (74.05%), H (7.04%), N (5.76%), O (13.15%)

Molar Mass: 243.306

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	243.125928791
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KTZZRAGNIAZODS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.55
Topological Polar Surface Area	29.54
Polarizability	27.09
Ring Count	3
Rotatable Bond Count	2

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