TL;DR: 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(2-propenyl)- (CAS 120337-30-6) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyl-5-prop-2-enyl-2,3-dihydro-1,5-benzodiazepin-4-one
Also Known As: 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(2-propenyl)-, 1,3,4,5-Tetrahydro-5-acetyl-1-(2-propenyl)-2H-1,4-benzodiazepin-2-one, 1-acetyl-4-oxo-5-prop-2-enyl-2H,3H-benzo[b]1,4-diazepine, 1-acetyl-5-prop-2-enyl-2,3-dihydro-1,5-benzodiazepin-4-one, 5-acetyl-1-(prop-2-en-1-yl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.12119 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 Da |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
| SMILES | CC(=O)N1CCC(=O)N(C2=CC=CC=C21)CC=C |
| InChIKey | KPOKLIRNGJBGBL-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(2-propenyl)-. With a topological polar surface area (TPSA) of 40.6 Ų, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(2-propenyl)- 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-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(2-propenyl)- is 120337-30-6.
The molecular formula of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(2-propenyl)- is C14H16N2O2.
The molecular weight of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(2-propenyl)- is 244.12119 g/mol.
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