Cas no 53598-99-5 (1,5-dihydro-4-methyl-2H-Pyrrol-2-one)
53598-99-5 structure
Product Name:1,5-dihydro-4-methyl-2H-Pyrrol-2-one
CAS No:53598-99-5
MF:C5H7NO
MW:97.1151812076569
CID:1113593
PubChem ID:11423561
Update Time:2025-04-20
1,5-dihydro-4-methyl-2H-Pyrrol-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,5-dihydro-4-methyl-2H-Pyrrol-2-one
- 4-methyl-1,5-dihydro-2h-pyrrol-2-one
- 4-Methyl-3-pyrrolin-2-one
- AKOS006302301
- 53598-99-5
- 3-methyl-1,2-dihydropyrrol-5-one
-
- Inchi： 1S/C5H7NO/c1-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)
- InChI Key： VYLNLZWPJSQGRC-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)CN1
Computed Properties
- Exact Mass: 97.052763847g/mol
- Monoisotopic Mass: 97.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 1.049±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 112-113 oC (ligroine )
- Solubility: Dissolution (84 g/l) (25 o C),
1,5-dihydro-4-methyl-2H-Pyrrol-2-one Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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