Cas no 122590-02-7 ((3'Z)-3'-ethylidene-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one)
![(3'Z)-3'-ethylidene-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one structure](https://ossimg.kuujia.com/scimg/123000/122590-02-7x500.png)
122590-02-7 structure
Product Name:(3'Z)-3'-ethylidene-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one
CAS No:122590-02-7
MF:C19H22N2O2
MW:310.390184879303
CID:1214000
PubChem ID:5316594
Update Time:2025-04-20
(3'Z)-3'-ethylidene-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- (3'Z)-3'-ethylidene-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one
- Spiro(3H-indole-3,8'(7'H)-(4,7)methanooxepino(4,3-b)pyridin)-2(1H)-one, 3'-ethylidene-1',2',3',4',4'a,5',9',9'a-octahydro-, (3S,3'Z,4'R,4'aS,7'R,9'aS)-
- Humantenine, 1-demethoxy-4-demethyl-
- N-Desmethoxyrankinidine
- N-Demethoxyrankinidine
- 122590-02-7
-
- Inchi： 1S/C19H22N2O2/c1-2-11-9-20-16-8-19(17-7-12(11)13(16)10-23-17)14-5-3-4-6-15(14)21-18(19)22/h2-6,12-13,16-17,20H,7-10H2,1H3,(H,21,22)/b11-2+
- InChI Key： YIOBXNAEUXWNQS-BIIKFXOESA-N
- SMILES： O1CC2C3CC4(C(NC5C=CC=CC4=5)=O)C1CC2/C(=C/C)/CN3
Computed Properties
- Exact Mass: 310.16826
- Monoisotopic Mass: 310.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 560
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 50.36
(3'Z)-3'-ethylidene-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one Related Literature
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
122590-02-7 ((3'Z)-3'-ethylidene-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one) Related Products
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