Cas no 28115-46-0 (2-Pyrrolidinemethanol,1-acetyl-5-methyl-, trans- (8CI))
28115-46-0 structure
Product Name:2-Pyrrolidinemethanol,1-acetyl-5-methyl-, trans- (8CI)
CAS No:28115-46-0
MF:C8H15NO2
MW:157.210202455521
CID:251780
PubChem ID:45086105
Update Time:2025-04-19
2-Pyrrolidinemethanol,1-acetyl-5-methyl-, trans- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinemethanol,1-acetyl-5-methyl-, trans- (8CI)
- 28115-46-0
- 1-((2S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidin-1-yl)ethanone
-
- Inchi： 1S/C8H15NO2/c1-6-3-4-8(5-10)9(6)7(2)11/h6,8,10H,3-5H2,1-2H3/t6-,8+/m1/s1
- InChI Key： XXIAQHKXMUPUHO-SVRRBLITSA-N
- SMILES： OC[C@@H]1CC[C@@H](C)N1C(C)=O
Computed Properties
- Exact Mass: 157.11
- Monoisotopic Mass: 157.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5A^2
- XLogP3: 0
2-Pyrrolidinemethanol,1-acetyl-5-methyl-, trans- (8CI) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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