103735-86-0 ((5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (11E)-)

CAS号:
103735-86-0
英文名称:
5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (11E)-
分子式:
C15H18N2O
分子量:
242.316223621368

5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (11E)-(103735-86-0)名称与标识符

名称

英文别名:
5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (11E)-;(13E)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0<sup>2,7</sup>]trideca-2(7),3,10-trien-5-one;5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, ...;fordine;Huperzine-A;Bio1_000171;BSPBio_001143;KBio2_005619;KBio3_000886;LSM-1581;1290113-17-5;NCGC00163246-01;5,9-methanocycloocta(b)pyridin-2(1h)-one,5-amino-11-ethylidene-5,6,9,10-tetrah;1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one;HMS1990I05;(13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one;(+/-)Huperzine A;Fordine; (+/-)-Huperzine A;KBioSS_000483;(+)-Huperzine A;IDI1_002157;Bio1_001149;1ST40303;BCP31534;103735-86-0;(1S,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one;Huperzine A;KBio2_000483;BDBM10441;Bio2_000882;FT-0642946;(+/-)-Huperzine A;(1R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one;Selagine;CHEMBL3184073;(-)-Huperzine A-d5 (Major);(13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one;KBioGR_000483;(5S,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one;Bio2_000402;KBio3_000885;120786-18-7;CBiol_001885;AKOS032962044;Bio1_000660;(-)-huperzine A;Q27163539;KBio2_003051;102518-79-6;

标识符

InChIKey:
ZRJBHWIHUMBLCN-UHFFFAOYSA-N
Inchi:
1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)
SMILES:
O=C1C=CC2=C(CC3C=C(C)CC2(C3=CC)N)N1

5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (11E)-(103735-86-0)物化性质

实验特性

  • LogP : 3.11010
  • PSA : 59.14000
  • 沸点 : 505°Cat760mmHg
  • 闪点 : 259.2°C
  • 密度 : 1.2

计算特性

  • 精确分子量 : 242.141913
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 242.141913
  • 重原子数量 : 18
  • 复杂度 : 551
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0
  • 拓扑分子极性表面积 : 55.1

5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (11E)-(103735-86-0)相关文献