Cas no 226571-96-6 (3-Azabicyclo[3.1.0]hexan-2-one,1,5-dimethyl-)
![3-Azabicyclo[3.1.0]hexan-2-one,1,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/227000/226571-96-6x500.png)
226571-96-6 structure
Product Name:3-Azabicyclo[3.1.0]hexan-2-one,1,5-dimethyl-
CAS No:226571-96-6
MF:C7H11NO
MW:125.168341875076
CID:244836
PubChem ID:15858590
Update Time:2025-04-19
3-Azabicyclo[3.1.0]hexan-2-one,1,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Azabicyclo[3.1.0]hexan-2-one,1,5-dimethyl-
- 1,5-DIMETHYL-3-AZABICYCLO[3.1.0]HEXAN-2-ONE
- 3-Azabicyclo[3.1.0]hexan-2-one,1,5-dimethyl-(9CI)
- 226571-96-6
-
- Inchi： 1S/C7H11NO/c1-6-3-7(6,2)5(9)8-4-6/h3-4H2,1-2H3,(H,8,9)
- InChI Key： NHZFMNJIMNAGGS-UHFFFAOYSA-N
- SMILES： O=C1C2(C)CC2(C)CN1
Computed Properties
- Exact Mass: 125.08400
- Monoisotopic Mass: 125.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 189
- 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: 0.4
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.10000
- LogP: 0.86130
3-Azabicyclo[3.1.0]hexan-2-one,1,5-dimethyl- Related Literature
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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
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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