Cas no 70319-59-4 (1,3,5-Trimethyl-1H-pyrrole-2-carbonitrile)
70319-59-4 structure
Product Name:1,3,5-Trimethyl-1H-pyrrole-2-carbonitrile
CAS No:70319-59-4
MF:C8H10N2
MW:134.178401470184
CID:974966
PubChem ID:45087613
Update Time:2025-04-19
1,3,5-Trimethyl-1H-pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carbonitrile,1,3,5-trimethyl-(9CI)
- 1,3,5-Trimethyl-1H-pyrrole-2-carbonitrile
- 70319-59-4
- 1H-PYRROLE-2-CARBONITRILE, 1,3,5-TRIMETHYL-
- DB-268153
-
- Inchi： 1S/C8H10N2/c1-6-4-7(2)10(3)8(6)5-9/h4H,1-3H3
- InChI Key： KBWROLDXNFZAHD-UHFFFAOYSA-N
- SMILES： N1(C)C(C#N)=C(C)C=C1C
Computed Properties
- Exact Mass: 134.084398327g/mol
- Monoisotopic Mass: 134.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 167
- 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: 1.5
- Topological Polar Surface Area: 28.7?2
1,3,5-Trimethyl-1H-pyrrole-2-carbonitrile Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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