Specification: |
The 3-(2-Isocyanoethyl)-1H-indole with cas registry number of 100571-64-0, whose systematic name is 3-(2-isocyanoethyl)-1H-indole. And it is also named 1H-Indole, 3-(2-isocyanoethyl)-; 2-(Indol-3-yl)ethylisocyanide.Physical properties about this chemical are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 9.29 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES:[C-]#[N+]CCc2c1ccccc1nc2;
(2)InChI:InChI=1/C11H10N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2;
(3)InChIKey:KKQMZQJNSZGLBO-UHFFFAOYAL;
(4)Std. InChI:InChI=1S/C11H10N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2;
(5)Std. InChIKey:KKQMZQJNSZGLBO-UHFFFAOYSA-N.
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