Cas no 147637-81-8 (2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (R)- (9CI))
147637-81-8 structure
Product Name:2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (R)- (9CI)
CAS No:147637-81-8
MF:C9H11NO2
MW:165.189142465591
CID:100725
Update Time:2024-01-24
2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (R)- (9CI)
- 2H-Pyrrol-2-one, 1-acetyl-1,5-dihydro-5-(2-propenyl)-, (R)- (9CI)
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- Inchi： 1S/C9H11NO2/c1-3-4-8-5-6-9(12)10(8)7(2)11/h3,5-6,8H,1,4H2,2H3/t8-/m1/s1
- InChI Key： FRQUKACJODCSIO-MRVPVSSYSA-N
- SMILES： N1(C(C)=O)[C@H](CC=C)C=CC1=O
Computed Properties
- Exact Mass: 165.07903
- Monoisotopic Mass: 165.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.4A^2
Experimental Properties
- Density: 1.101±0.06 g/cm3(Predicted)
- Boiling Point: 285.9±23.0 °C(Predicted)
- PSA: 37.38
- pka: -1.97±0.40(Predicted)
2H-Pyrrol-2-one,1-acetyl-1,5-dihydro-5-(2-propenyl)-, (R)- (9CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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