Cas no 259857-48-2 ((4S)-4-(Propan-2-yl)pyrrolidin-2-one)
259857-48-2 structure
Product Name:(4S)-4-(Propan-2-yl)pyrrolidin-2-one
CAS No:259857-48-2
MF:C7H13NO
MW:127.184221982956
CID:2128150
PubChem ID:52420592
Update Time:2024-03-01
(4S)-4-(Propan-2-yl)pyrrolidin-2-one Chemical and Physical Properties
Names and Identifiers
-
- (4S)-4-(propan-2-yl)pyrrolidin-2-one
- (4S)-4beta-Isopropyl-2-pyrrolidone
- (4S)-4-(Propan-2-yl)pyrrolidin-2-one
-
- Inchi： 1S/C7H13NO/c1-5(2)6-3-7(9)8-4-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m1/s1
- InChI Key： YWJNZEJGGLBELP-ZCFIWIBFSA-N
- SMILES： O=C1C[C@H](CN1)C(C)C
Computed Properties
- Exact Mass: 127.1
- Monoisotopic Mass: 127.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.1
- XLogP3: 0.8
(4S)-4-(Propan-2-yl)pyrrolidin-2-one Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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