TL;DR: methyl 5-[(E)-(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate (CAS 145071-29-0) is a chemical compound with molecular formula C9H14N2O3 and molecular weight 198.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-(methoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: methyl 5-[(E)-(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate
| Molecular Formula | C9H14N2O3 |
| Molecular Weight | 198.10045 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.10045 Da |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
| SMILES | COC(=O)N1CCC=C(C1)C=NOC |
| InChIKey | DDKZZYDTARWAND-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-[(E)-(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate. With a topological polar surface area (TPSA) of 51.1 Ų, methyl 5-[(E)-(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-[(E)-(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 5-[(E)-(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate is 145071-29-0.
The molecular formula of methyl 5-[(E)-(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate is C9H14N2O3.
The molecular weight of methyl 5-[(E)-(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate is 198.10045 g/mol.
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