TL;DR: 3-{[hydroxy(methyl)amino]methylene}-1,3-dihydro-2H-indol-2-one (CAS 1164473-20-4) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-[[hydroxy(methyl)amino]methylidene]-1H-indol-2-one
Also Known As: 3-{[hydroxy(methyl)amino]methylene}-1,3-dihydro-2H-indol-2-one, (3Z)-3-{[hydroxy(methyl)amino]methylidene}-2,3-dihydro-1H-indol-2-one, (3Z)-3-[[hydroxy(methyl)amino]methylidene]-1H-indol-2-one, 7H-956, (3Z)-3-[[hydroxy(methyl)amino]methylene]indolin-2-one
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.07423 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.07423 Da |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
| SMILES | CN(/C=C\1/C2=CC=CC=C2NC1=O)O |
| InChIKey | MQNYXAPIFQSYNB-VURMDHGXSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[hydroxy(methyl)amino]methylene}-1,3-dihydro-2H-indol-2-one. With a topological polar surface area (TPSA) of 52.6 Ų, 3-{[hydroxy(methyl)amino]methylene}-1,3-dihydro-2H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[hydroxy(methyl)amino]methylene}-1,3-dihydro-2H-indol-2-one has 2 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 3-{[hydroxy(methyl)amino]methylene}-1,3-dihydro-2H-indol-2-one is 1164473-20-4.
The molecular formula of 3-{[hydroxy(methyl)amino]methylene}-1,3-dihydro-2H-indol-2-one is C10H10N2O2.
The molecular weight of 3-{[hydroxy(methyl)amino]methylene}-1,3-dihydro-2H-indol-2-one is 190.07423 g/mol.
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