Cas no 126973-49-7 (4H-Imidazol-4-one,2-ethenyl-3,5-dihydro-5-methyl-5-(1-methylethyl)-)
126973-49-7 structure
Product Name:4H-Imidazol-4-one,2-ethenyl-3,5-dihydro-5-methyl-5-(1-methylethyl)-
CAS No:126973-49-7
MF:C9H14N2O
MW:166.220262050629
CID:103283
PubChem ID:15725390
Update Time:2025-04-18
4H-Imidazol-4-one,2-ethenyl-3,5-dihydro-5-methyl-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 4H-Imidazol-4-one,2-ethenyl-3,5-dihydro-5-methyl-5-(1-methylethyl)-
- 2-ethenyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
- 4H-Imidazol-4-one,2-ethenyl-1,5-dihydro-5-methyl-5-(1-methylethyl)-(9CI)
- 126973-49-7
-
- Inchi： 1S/C9H14N2O/c1-5-7-10-8(12)9(4,11-7)6(2)3/h5-6H,1H2,2-4H3,(H,10,11,12)
- InChI Key： GUCPUUMEKCFBAQ-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C(C)C)N=C(C=C)N1
Computed Properties
- Exact Mass: 166.11072
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 255
- 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: 1.3
- Topological Polar Surface Area: 41.5?2
Experimental Properties
- PSA: 41.46
4H-Imidazol-4-one,2-ethenyl-3,5-dihydro-5-methyl-5-(1-methylethyl)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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