Cas no 51479-91-5 (2-Butanone, 3-methyl-4-(1-pyrrolidinyl)-)
51479-91-5 structure
Product Name:2-Butanone, 3-methyl-4-(1-pyrrolidinyl)-
CAS No:51479-91-5
MF:C9H17NO
MW:155.237382650375
CID:362213
PubChem ID:24975979
Update Time:2025-04-19
2-Butanone, 3-methyl-4-(1-pyrrolidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 3-methyl-4-(1-pyrrolidinyl)-
- 3-methyl-4-pyrrolidin-1-ylbutan-2-one
- 3-methyl-4-(1-pyrrolidinyl)-2-butanone
- 51479-91-5
- SCHEMBL12123730
- DTXSID00648264
- 3-Methyl-4-(pyrrolidin-1-yl)butan-2-one
-
- Inchi： 1S/C9H17NO/c1-8(9(2)11)7-10-5-3-4-6-10/h8H,3-7H2,1-2H3
- InChI Key： ZOPSTPDTJFOJPT-UHFFFAOYSA-N
- SMILES： O=C(C)C(C)CN1CCCC1
Computed Properties
- Exact Mass: 155.13111
- Monoisotopic Mass: 155.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
2-Butanone, 3-methyl-4-(1-pyrrolidinyl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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