Cas no 113466-88-9 (cis-3,3a,4,6a-tetrahydro-Cyclopenta[b]pyrrol-2(1H)-one (Relative struc))
![cis-3,3a,4,6a-tetrahydro-Cyclopenta[b]pyrrol-2(1H)-one (Relative struc) structure](https://ossimg.kuujia.com/scimg/113500/113466-88-9x500.png)
113466-88-9 structure
Product Name:cis-3,3a,4,6a-tetrahydro-Cyclopenta[b]pyrrol-2(1H)-one (Relative struc)
CAS No:113466-88-9
MF:C7H9NO
MW:123.152461767197
CID:130184
PubChem ID:45092452
Update Time:2025-04-19
cis-3,3a,4,6a-tetrahydro-Cyclopenta[b]pyrrol-2(1H)-one (Relative struc) Chemical and Physical Properties
Names and Identifiers
-
- cis-3,3a,4,6a-tetrahydro-Cyclopenta[b]pyrrol-2(1H)-one (Relative struc)
- (3aS,6aR)-1,3a,4,6a-tetrahydrocyclopenta[b]pyrrol-2(3H)-one
- Cyclopenta[b]pyrrol-2(1H)-one, 3,3a,4,6a-tetrahydro-, cis- (9CI)
- 113466-88-9
- (3AR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[b]pyrrol-2(3H)-one
- (3aR,6aS)-3,3a,4,6a-tetrahydro-1H-cyclopenta[b]pyrrol-2-one
- (3aR,6aS)-3,3a,4,6a-Tetrahydrocyclopenta[b]pyrrol-2(1H)-one
-
- Inchi： 1S/C7H9NO/c9-7-4-5-2-1-3-6(5)8-7/h1,3,5-6H,2,4H2,(H,8,9)/t5-,6-/m1/s1
- InChI Key： KCZDQPANKVXLEA-PHDIDXHHSA-N
- SMILES： O=C1C[C@H]2CC=C[C@H]2N1
Computed Properties
- Exact Mass: 123.06847
- Monoisotopic Mass: 123.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 174
- 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
- XLogP3: 0.2
Experimental Properties
- PSA: 29.1
- LogP: 0.77980
cis-3,3a,4,6a-tetrahydro-Cyclopenta[b]pyrrol-2(1H)-one (Relative struc) Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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