(2R,7R)-6-propyl-3,9-dioxa-6-azatricyclo[8.4.0.0²,?]tetradeca-1(10),11,13-trien-13-ol

(2R,7R)-6-propyl-3,9-dioxa-6-azatricyclo[8.4.0.0²,?]tetradeca-1(10),11,13-trien-13-ol

CAS: 123594-64-9

Formula: C14H19NO3

SMILES: CCCN1CCO[C@H]2[C@H]1COC1=C2C=C(O)C=C1

IUPAC: (2R,7R)-6-propyl-3,9-dioxa-6-azatricyclo[8.4.0.0²,?]tetradeca-1(10),11,13-trien-13-ol

InChI: InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14+/m0/s1

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	249.136493476
Formal Charge	0
FSP3	0.57
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YOILXOMTHPUMRG-TZMCWYRMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.76
Topological Polar Surface Area	41.93
Polarizability	27.1
Ring Count	3
Rotatable Bond Count	2

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