Cas no 1004547-90-3 (3-cyclopropyl-1H-indole)
3-cyclopropyl-1H-indole structure
Product Name:3-cyclopropyl-1H-indole
CAS No:1004547-90-3
MF:C11H11N
MW:157.211742639542
CID:2859892
PubChem ID:66783170
Update Time:2024-03-01
3-cyclopropyl-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 3-cyclopropyl-1H-indole
- 1H-Indole, 3-cyclopropyl-
- 3-cyclopropylindole
-
- Inchi： 1S/C11H11N/c1-2-4-11-9(3-1)10(7-12-11)8-5-6-8/h1-4,7-8,12H,5-6H2
- InChI Key： HPHXDKQLZSKUKB-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2C(=C1)C1CC1
Computed Properties
- Exact Mass: 157.089
- Monoisotopic Mass: 157.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 174
- 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: 3.1
- Topological Polar Surface Area: 15.8
Experimental Properties
- PSA: 15.79000
- LogP: 3.04530
3-cyclopropyl-1H-indole Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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