Cas no 33061-01-7 (3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione)
33061-01-7 structure
Product Name:3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione
CAS No:33061-01-7
MF:C10H15NO3
MW:197.231003046036
CID:1110960
PubChem ID:104833
Update Time:2025-04-20
3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione Chemical and Physical Properties
Names and Identifiers
-
- 3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione
- 3-acetyl-5-butan-2-ylpyrrolidine-2,4-dione
- 2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-
- 2,4-Pyrrolidinedione, 3-acetyl-5-sec-butyl-
- DTXSID70954682
- 4-Acetyl-2-(butan-2-yl)-5-hydroxy-2,4-dihydro-3H-pyrrol-3-one
- 33061-01-7
-
- Inchi: 1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,7-8H,4H2,1-3H3,(H,11,14)
- InChI Key: KLBSRSYHIIAQTG-UHFFFAOYSA-N
- SMILES: O=C1C(C(C)=O)C(NC1C(C)CC)=O
Computed Properties
- Exact Mass: 197.10525
- Monoisotopic Mass: 197.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 63.2?2
Experimental Properties
- PSA: 63.24
3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione 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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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