TL;DR: N-(1-cyano-3a,6a-dimethylhexahydro-1,4-methanocyclopenta[c]pyrrol-2(1H)-yl)formamide (CAS 1212327-30-4) is a chemical compound with molecular formula C12H17N3O and molecular weight 219.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl)formamide
Also Known As: N-(1-cyano-3a,6a-dimethylhexahydro-1,4-methanocyclopenta[c]pyrrol-2(1H)-yl)formamide, N-(3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.0<3,7>]non-4-yl)carboxamide
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.13716 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.13716 Da |
| Heavy Atoms | 16 |
| Complexity | 414.0 |
| SMILES | CC12CCC3C1(CN(C2(C3)C#N)NC=O)C |
| InChIKey | SIAMOYDZPWGQIM-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyano-3a,6a-dimethylhexahydro-1,4-methanocyclopenta[c]pyrrol-2(1H)-yl)formamide. With a topological polar surface area (TPSA) of 56.1 Ų, N-(1-cyano-3a,6a-dimethylhexahydro-1,4-methanocyclopenta[c]pyrrol-2(1H)-yl)formamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-cyano-3a,6a-dimethylhexahydro-1,4-methanocyclopenta[c]pyrrol-2(1H)-yl)formamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1-cyano-3a,6a-dimethylhexahydro-1,4-methanocyclopenta[c]pyrrol-2(1H)-yl)formamide is 1212327-30-4.
The molecular formula of N-(1-cyano-3a,6a-dimethylhexahydro-1,4-methanocyclopenta[c]pyrrol-2(1H)-yl)formamide is C12H17N3O.
The molecular weight of N-(1-cyano-3a,6a-dimethylhexahydro-1,4-methanocyclopenta[c]pyrrol-2(1H)-yl)formamide is 219.13716 g/mol.
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