Cas no 61772-95-0 (2H-Pyrrole, 2-ethyl-3,4-dihydro-5-pentyl-)
61772-95-0 structure
Product Name:2H-Pyrrole, 2-ethyl-3,4-dihydro-5-pentyl-
CAS No:61772-95-0
MF:C11H21N
MW:167.29114317894
CID:466669
PubChem ID:12755798
Update Time:2025-04-19
2H-Pyrrole, 2-ethyl-3,4-dihydro-5-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrole, 2-ethyl-3,4-dihydro-5-pentyl-
- 2-ethyl-5-pentyl-3,4-dihydro-2H-pyrrole
- 61772-95-0
- DTXSID90509032
-
- Inchi： 1S/C11H21N/c1-3-5-6-7-11-9-8-10(4-2)12-11/h10H,3-9H2,1-2H3
- InChI Key： VXXHEVJFTBKPKV-UHFFFAOYSA-N
- SMILES： N1=C(CCCCC)CCC1CC
Computed Properties
- Exact Mass: 167.16753
- Monoisotopic Mass: 167.167399674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 12.4?2
Experimental Properties
- PSA: 12.36
2H-Pyrrole, 2-ethyl-3,4-dihydro-5-pentyl- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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