Cas no 109120-10-7 (3-Acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on)
![3-Acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on structure](https://ossimg.kuujia.com/scimg/109500/109120-10-7x500.png)
109120-10-7 structure
Product Name:3-Acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on
CAS No:109120-10-7
MF:C13H16N2O2
MW:232.278343200684
CID:2043576
PubChem ID:3716901
Update Time:2025-04-21
3-Acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on Chemical and Physical Properties
Names and Identifiers
-
- 3-Acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on
- 3-acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
- Acetylcytisin
- N-Acetylcytisin
- N-Acetylcytisine
- WCRIKJOQMRFVPX-UHFFFAOYSA-N
- 3-Acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
- NCGC00017403-02
- NCGC00142627-01
- AKOS016023673
- DTXSID901138186
- 11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
- CHEMBL1513538
- 109120-10-7
- CHEBI:181846
- N-Acetylytisine
-
- Inchi： 1S/C13H16N2O2/c1-9(16)14-6-10-5-11(8-14)12-3-2-4-13(17)15(12)7-10/h2-4,10-11H,5-8H2,1H3
- InChI Key： WCRIKJOQMRFVPX-UHFFFAOYSA-N
- SMILES： O=C1C=CC=C2C3CN(C(C)=O)CC(CN21)C3
Computed Properties
- Exact Mass: 232.121177757g/mol
- Monoisotopic Mass: 232.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 439
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 40.6?2
3-Acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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