ZT7
1-(5-amino-2H-isoindol-2-yl)ethan-1-one
Created: | 2023-07-03 |
Last modified: | 2023-07-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 24 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 1-(5-amino-2H-isoindol-2-yl)ethan-1-one |
Systematic Name (OpenEye OEToolkits) | 1-(5-azanylisoindol-2-yl)ethanone |
Formula | C10 H10 N2 O |
Molecular Weight | 174.199 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)n1cc2ccc(N)cc2c1 |
SMILES | CACTVS | 3.385 | CC(=O)n1cc2ccc(N)cc2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)n1cc2ccc(cc2c1)N |
Canonical SMILES | CACTVS | 3.385 | CC(=O)n1cc2ccc(N)cc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)n1cc2ccc(cc2c1)N |
InChI | InChI | 1.06 | InChI=1S/C10H10N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-6H,11H2,1H3 |
InChIKey | InChI | 1.06 | QUEOWOVPZRUSRH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 168376961 |