Cas no 947534-52-3 (1-Allyl-1,3-dihydro-imidazol-2-one)
947534-52-3 structure
Product Name:1-Allyl-1,3-dihydro-imidazol-2-one
CAS No:947534-52-3
MF:C6H8N2O
MW:124.1405210495
CID:1001241
PubChem ID:45158702
Update Time:2025-04-20
1-Allyl-1,3-dihydro-imidazol-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1-Allyl-1,3-dihydro-imidazol-2-one
- 3-prop-2-enyl-1H-imidazol-2-one
- DTXSID90669660
- 1-Allyl-1,3-dihydro-2H-imidazol-2-one
- 1-(Prop-2-en-1-yl)-1,3-dihydro-2H-imidazol-2-one
- SCHEMBL175260
- AKOS006324936
- 947534-52-3
-
- Inchi： 1S/C6H8N2O/c1-2-4-8-5-3-7-6(8)9/h2-3,5H,1,4H2,(H,7,9)
- InChI Key： IFMYXEISCBSRJO-UHFFFAOYSA-N
- SMILES： O=C1NC=CN1CC=C
Computed Properties
- Exact Mass: 124.06400
- Monoisotopic Mass: 124.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 162
- 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
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 37.79000
- LogP: 0.36240
1-Allyl-1,3-dihydro-imidazol-2-one Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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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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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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