Cas no 119188-49-7 (5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-(dimethylamino)-11-ethenyl-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11R)-)
119188-49-7 structure
Product Name:5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-(dimethylamino)-11-ethenyl-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11R)-
CAS No:119188-49-7
MF:C17H22N2O
MW:270.369384288788
CID:194784
PubChem ID:195296
Update Time:2025-04-19
5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-(dimethylamino)-11-ethenyl-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11R)- Chemical and Physical Properties
Names and Identifiers
-
- 5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-(dimethylamino)-11-ethenyl-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11R)-
- 5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-(dimethylamino)-11-ethenyl-5,6,9,10-tetrahydro-7-me...
- huperzinine
- (5R,9R,11R)-5-(dimethylamino)-11-ethenyl-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one
- 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-(dimethylamino)-11-ethenyl-5,6,9,10-tetrahydro-7-methyl-, (5R-(5alpha,9beta,11R*))-
- DTXSID90922883
- (1R,9R,13R)-1-(dimethylamino)-13-ethenyl-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
- 119188-49-7
- CHEMBL470349
- 5-(Dimethylamino)-11-ethenyl-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2-ol
-
- Inchi: 1S/C17H22N2O/c1-5-13-12-8-11(2)10-17(13,19(3)4)14-6-7-16(20)18-15(14)9-12/h5-8,12-13H,1,9-10H2,2-4H3,(H,18,20)/t12-,13+,17+/m0/s1
- InChI Key: GDGWMBXSNPMXBY-OGHNNQOOSA-N
- SMILES: O=C1C=CC2=C(C[C@@H]3C=C(C)C[C@]2([C@@H]3C=C)N(C)C)N1
Computed Properties
- Exact Mass: 270.173213330g/mol
- Monoisotopic Mass: 270.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 568
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 32.3?2
5,9-Methanocycloocta[b]pyridin-2(1H)-one,5-(dimethylamino)-11-ethenyl-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11R)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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