TL;DR: 2,3-dihydro-1H-3a-azacyclopenta[a]indene-8-carboxaldehyde (CAS 1421-21-2) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carbaldehyde
Also Known As: 1H,2H,3H-benzo[b]pyrrolizine-9-carbaldehyde, 1H-Pyrrolo[1,2-a]indole-9-carboxaldehyde, 2,3-dihydro-, 2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carbaldehyde, 2,3-Dihydro-1H-pyrrolo[1,2-a]indole-9-carbaldehyde, 2,3-dihydro-1H-3a-azacyclopenta[a]indene-8-carboxaldehyde
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.08406 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.08406 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | C1CC2=C(C3=CC=CC=C3N2C1)C=O |
| InChIKey | ARXIIRXLRNPUGV-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dihydro-1H-3a-azacyclopenta[a]indene-8-carboxaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 2,3-dihydro-1H-3a-azacyclopenta[a]indene-8-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-dihydro-1H-3a-azacyclopenta[a]indene-8-carboxaldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-dihydro-1H-3a-azacyclopenta[a]indene-8-carboxaldehyde is 1421-21-2.
The molecular formula of 2,3-dihydro-1H-3a-azacyclopenta[a]indene-8-carboxaldehyde is C12H11NO.
The molecular weight of 2,3-dihydro-1H-3a-azacyclopenta[a]indene-8-carboxaldehyde is 185.08406 g/mol.
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