Cas no 89450-48-6 (2-Cyclopenten-1-one, 2-(dimethylamino)-3-methyl-)
89450-48-6 structure
Product Name:2-Cyclopenten-1-one, 2-(dimethylamino)-3-methyl-
CAS No:89450-48-6
MF:C8H13NO
MW:139.194922208786
CID:599999
PubChem ID:70522570
Update Time:2025-04-19
2-Cyclopenten-1-one, 2-(dimethylamino)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one, 2-(dimethylamino)-3-methyl-
- 2-(dimethylamino)-3-methylcyclopent-2-en-1-one
- DTXSID80742254
- 89450-48-6
- SCHEMBL11132990
-
- Inchi： 1S/C8H13NO/c1-6-4-5-7(10)8(6)9(2)3/h4-5H2,1-3H3
- InChI Key： KVHPFBJCYGBYCE-UHFFFAOYSA-N
- SMILES： O=C1C(=C(C)CC1)N(C)C
Computed Properties
- Exact Mass: 139.099714038g/mol
- Monoisotopic Mass: 139.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 20.3?2
2-Cyclopenten-1-one, 2-(dimethylamino)-3-methyl- Related Literature
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
89450-48-6 (2-Cyclopenten-1-one, 2-(dimethylamino)-3-methyl-) Related Products
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