Cas no 126412-05-3 (2-Propanone,1-(1-methyl-2-pyrrolidinylidene)-, (1E)-)
126412-05-3 structure
Product Name:2-Propanone,1-(1-methyl-2-pyrrolidinylidene)-, (1E)-
CAS No:126412-05-3
MF:C8H13NO
MW:139.194922208786
CID:103446
PubChem ID:12758234
Update Time:2025-04-18
2-Propanone,1-(1-methyl-2-pyrrolidinylidene)-, (1E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone,1-(1-methyl-2-pyrrolidinylidene)-, (1E)-
- 2-Propanone, 1-(1-methyl-2-pyrrolidinylidene)-, (E)- (9CI)
- 126412-05-3
- (1E)-1-(1-Methylpyrrolidin-2-ylidene)propan-2-one
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- Inchi： 1S/C8H13NO/c1-7(10)6-8-4-3-5-9(8)2/h6H,3-5H2,1-2H3/b8-6+
- InChI Key： CXSJAGTXTKECJV-SOFGYWHQSA-N
- SMILES： O=C(C)/C=C1\CCCN\1C
Computed Properties
- Exact Mass: 139.09979
- 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: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
2-Propanone,1-(1-methyl-2-pyrrolidinylidene)-, (1E)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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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
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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