14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,?]pentadeca-9,11-dien-13-one

14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,?]pentadeca-9,11-dien-13-one

CAS: 884-68-4

Formula: C13H15NO2

SMILES: O=C1OC23CC(C=CC2=C1)N1CCCCC31

IUPAC: 14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,?]pentadeca-9,11-dien-13-one

InChI: InChI=1/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2

Composition: C (71.87%), H (6.96%), N (6.45%), O (14.73%)

Molar Mass: 217.268

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	217.110278727
Formal Charge	0
FSP3	0.62
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SWZMSZQQJRKFBP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.32
Topological Polar Surface Area	29.54
Polarizability	23.57
Ring Count	4
Rotatable Bond Count	0

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