Cas no 175698-08-5 (2-Pyrrolidinone,3-ethyl-3-(1-methylethyl)-(9CI))
175698-08-5 structure
Product Name:2-Pyrrolidinone,3-ethyl-3-(1-methylethyl)-(9CI)
CAS No:175698-08-5
MF:C9H17NO
MW:155.237382650375
CID:112129
PubChem ID:10606999
Update Time:2025-04-18
2-Pyrrolidinone,3-ethyl-3-(1-methylethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Pyrrolidinone,3-ethyl-3-(1-methylethyl)-(9CI)
- SCHEMBL6732401
- 3-Ethyl-3-isopropylpyrrolidin-2-one
- 3-ethyl-3-propan-2-ylpyrrolidin-2-one
- 175698-08-5
- CHEMBL56839
- InChI=1/C9H17NO/c1-4-9(7(2)3)5-6-10-8(9)11/h7H,4-6H2,1-3H3,(H,10,11
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- Inchi： 1S/C9H17NO/c1-4-9(7(2)3)5-6-10-8(9)11/h7H,4-6H2,1-3H3,(H,10,11)
- InChI Key： NFFVWPBBTGYZTI-UHFFFAOYSA-N
- SMILES： O=C1C(CC)(CCN1)C(C)C
Computed Properties
- Exact Mass: 155.131014166g/mol
- Monoisotopic Mass: 155.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 165
- 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: 1.7
- Topological Polar Surface Area: 29.1?2
2-Pyrrolidinone,3-ethyl-3-(1-methylethyl)-(9CI) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
175698-08-5 (2-Pyrrolidinone,3-ethyl-3-(1-methylethyl)-(9CI)) Related Products
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