Cas no 874-91-9 (1H-Pyrrole-3-butanenitrile)
1H-Pyrrole-3-butanenitrile structure
Product Name:1H-Pyrrole-3-butanenitrile
1H-Pyrrole-3-butanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-butanenitrile
- 4-(1H-pyrrol-3-yl)butanenitrile
- 4-(1H-Pyrrol-3-yl)butanenitrile #
- IGWYKZVYRILASN-UHFFFAOYSA-N
- 874-91-9
- Pyrrole-3-butyronitrile
- DTXSID20339526
- AKOS006354455
-
- Inchi： 1S/C8H10N2/c9-5-2-1-3-8-4-6-10-7-8/h4,6-7,10H,1-3H2
- InChI Key： IGWYKZVYRILASN-UHFFFAOYSA-N
- SMILES： N1C=CC(=C1)CCCC#N
Computed Properties
- Exact Mass: 134.084398327g/mol
- Monoisotopic Mass: 134.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 133
- 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: 1
- Topological Polar Surface Area: 39.6?2
1H-Pyrrole-3-butanenitrile Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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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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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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