TL;DR: 2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro- (CAS 145801-19-0) is a chemical compound with molecular formula C10H14N2 and molecular weight 162.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,6,7,8,9-hexahydro-2H-quinolizine-1-carbonitrile
Also Known As: 2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro-, 3,4,6,7,8,9-hexahydro-2H-quinolizine-1-carbonitrile, J1.856.638I, 2,3,4,6,7,8-hexahydro-1h-quinolizine-9-carbonitrile
| Molecular Formula | C10H14N2 |
| Molecular Weight | 162.11569 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.11569 Da |
| Heavy Atoms | 12 |
| Complexity | 256.0 |
| SMILES | C1CCN2CCCC(=C2C1)C#N |
| InChIKey | VDHOBIAQGHQZPW-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro-. With a topological polar surface area (TPSA) of 27.0 Ų, 2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro- is 145801-19-0.
The molecular formula of 2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro- is C10H14N2.
The molecular weight of 2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro- is 162.11569 g/mol.
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