Cas no 180960-74-1 (Cyclopent[c]azepin-1(2H)-one,octahydro-, cis- (9CI))
![Cyclopent[c]azepin-1(2H)-one,octahydro-, cis- (9CI) structure](https://ossimg.kuujia.com/scimg/181000/180960-74-1x500.png)
180960-74-1 structure
Product Name:Cyclopent[c]azepin-1(2H)-one,octahydro-, cis- (9CI)
CAS No:180960-74-1
MF:C9H15NO
MW:153.221502542496
CID:113572
Update Time:2024-01-24
Cyclopent[c]azepin-1(2H)-one,octahydro-, cis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopent[c]azepin-1(2H)-one,octahydro-, cis- (9CI)
- Cyclopent[c]azepin-1(2H)-one, octahydro-, cis- (9CI)
-
- Inchi： 1S/C9H15NO/c11-9-8-5-1-3-7(8)4-2-6-10-9/h7-8H,1-6H2,(H,10,11)/t7-,8-/m1/s1
- InChI Key： LOIWEJTXXHOJFJ-HTQZYQBOSA-N
- SMILES： N1CCC[C@@]2([H])CCC[C@@]2([H])C1=O
Computed Properties
- Exact Mass: 153.11545
- Monoisotopic Mass: 153.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.1A^2
Experimental Properties
- PSA: 29.1
Cyclopent[c]azepin-1(2H)-one,octahydro-, cis- (9CI) Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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