11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-diene

Base Information

• Chemical Name: 11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-diene
• CAS No.: 6018-52-6
• Molecular Formula: C₁₃H₁₆N₂O₂
• Molecular Weight: 232.282
• DSSTox Substance ID: DTXSID401316686
• Nikkaji Number: J505.965H
• Wikidata: Q105302043
• ChEMBL ID: CHEMBL1553838

Synonyms:6018-52-6;11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-diene;Acetylcytisine;1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-acetyl-1,2,3,4,5,6-hexahydro-, (1R)-;TNP00329;Oprea1_387633;(-)-N-ACETYLCYTISINE;CHEMBL1553838;DTXSID401316686;STL564731;AKOS024282717;NCGC00017403-01;E80801;(1R,9S)-11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;(1R,5S)-3-acetyl-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Chemical Property of 11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-diene

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 232.121177757
• Heavy Atom Count: 17
• Complexity: 439

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2
• Isomeric SMILES: CC(=O)N1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2

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