Cas no 18161-95-0 (3-methyl-decahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one)
![3-methyl-decahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one structure](https://ossimg.kuujia.com/scimg/18500/18161-95-0x500.png)
18161-95-0 structure
Product Name:3-methyl-decahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
CAS No:18161-95-0
MF:C12H20N2O
MW:208.300003051758
CID:2071590
PubChem ID:565989
Update Time:2025-04-21
3-methyl-decahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-decahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
- N-Methyltetrahydroeytisin
- 1,2,3,4,5,6,9,10,11,11a-Decahydro-3-methyl-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
- ONDDMIQCYQALKD-UHFFFAOYSA-N
- 11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
- 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-3-methyl-
- 18161-95-0
- Cytisine, tetrahydro-12-methyl-
-
- Inchi： 1S/C12H20N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h9-11H,2-8H2,1H3
- InChI Key： ONDDMIQCYQALKD-UHFFFAOYSA-N
- SMILES： O=C1CCCC2C3CN(C)CC(CN21)C3
Computed Properties
- Exact Mass: 208.157563266g/mol
- Monoisotopic Mass: 208.157563266g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 23.6?2
3-methyl-decahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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