Cas no 97073-14-8 (1-(1-pyrrolidinyl)-2-Butanone)
1-(1-pyrrolidinyl)-2-Butanone structure
Product Name:1-(1-pyrrolidinyl)-2-Butanone
CAS No:97073-14-8
MF:C8H15NO
MW:141.210802316666
CID:1123410
PubChem ID:15801221
Update Time:2025-04-20
1-(1-pyrrolidinyl)-2-Butanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(1-pyrrolidinyl)-2-Butanone
- KWN7G39HVE
- AKOS011315789
- 1-(pyrrolidin-1-yl)butan-2-one
- 1-(1'-pyrrolidinyl)-2-butanone
- SCHEMBL8809555
- 1-pyrrolidin-1-ylbutan-2-one
- DTXSID601308156
- CHEBI:193653
- 97073-14-8
- 2-Butanone, 1-(1-pyrrolidinyl)-
- FKJHJSJBXISMIR-UHFFFAOYSA-N
-
- Inchi： 1S/C8H15NO/c1-2-8(10)7-9-5-3-4-6-9/h2-7H2,1H3
- InChI Key： FKJHJSJBXISMIR-UHFFFAOYSA-N
- SMILES： O=C(CC)CN1CCCC1
Computed Properties
- Exact Mass: 141.115364102g/mol
- Monoisotopic Mass: 141.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 116
- 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: 1
- Topological Polar Surface Area: 20.3?2
1-(1-pyrrolidinyl)-2-Butanone 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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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