Cas no 561052-27-5 (3-ETHYL-4-METHYL-PYRROLIDIN-2-ONE)
561052-27-5 structure
Product Name:3-ETHYL-4-METHYL-PYRROLIDIN-2-ONE
CAS No:561052-27-5
MF:C7H13NO
MW:127.184221982956
CID:944924
PubChem ID:46738081
Update Time:2025-04-19
3-ETHYL-4-METHYL-PYRROLIDIN-2-ONE Chemical and Physical Properties
Names and Identifiers
-
- 3-ETHYL-4-METHYL-PYRROLIDIN-2-ONE
- 2-Pyrrolidinone, 3-ethyl-4-methyl-
- 3-Ethyl-4-methylpyrrolidin-2-one
- LogP
- DTXSID70674196
- AKOS006286497
- SCHEMBL2791256
- 561052-27-5
-
- Inchi： 1S/C7H13NO/c1-3-6-5(2)4-8-7(6)9/h5-6H,3-4H2,1-2H3,(H,8,9)
- InChI Key： BQFBBOGYICCLDL-UHFFFAOYSA-N
- SMILES： O=C1C(CC)C(C)CN1
Computed Properties
- Exact Mass: 127.09979
- Monoisotopic Mass: 127.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
3-ETHYL-4-METHYL-PYRROLIDIN-2-ONE Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
561052-27-5 (3-ETHYL-4-METHYL-PYRROLIDIN-2-ONE) Related Products
- 1497-19-4(2,5-Pyrrolidinedione,3-methyl-3-propyl-)
- 77-67-8(Ethosuximide)
- 179683-97-7(2-Piperidinone,3,5-dimethyl-)
- 126822-39-7(4-Cyclopropylpyrrolidin-2-one)
- 39711-79-0(N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide)
- 1444-94-6(octahydro-1H-isoindole-1,3-dione)
- 7506-66-3(cis-Hexahydro-1H-isoindole-1,3(2H)-dione)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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