(1R,2S,9S)-7,11-diazatricyclo[7.3.1.0²,?]tridecan-6-one

(1R,2S,9S)-7,11-diazatricyclo[7.3.1.0²,?]tridecan-6-one

CAS: 18161-94-9

Formula: C11H18N2O

SMILES: O=C1CCC[C@H]2[C@H]3CNC[C@H](C3)CN12

IUPAC: (1R,2S,9S)-7,11-diazatricyclo[7.3.1.0²,?]tridecan-6-one

InChI: InChI=1S/C11H18N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h8-10,12H,1-7H2/t8-,9+,10-/m0/s1

Composition: C (68.01%), H (9.34%), N (14.42%), O (8.24%)

Molar Mass: 194.278

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	194.141913208
Formal Charge	0
FSP3	0.91
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KWVYCGMBGRYVQH-AEJSXWLSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.34
Topological Polar Surface Area	32.34
Polarizability	21.54
Ring Count	3
Rotatable Bond Count	0

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