X1J
Summary
Name: | 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one |
Formula: | C10 H12 N2 O |
Formal charge: | 0 |
Formula weight: | 176.215 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one |
OpenEye OEToolkits | 2.0.7 | 1-(5-azanyl-1,3-dihydroisoindol-2-yl)ethanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c1c(CN(C1)C(=O)C)ccc2N |
InChI | InChI | 1.03 | InChI=1S/C10H12N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-4H,5-6,11H2,1H3 |
InChIKey | InChI | 1.03 | YIOYWZUOBVMFGA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1Cc2ccc(N)cc2C1 |
SMILES | CACTVS | 3.385 | CC(=O)N1Cc2ccc(N)cc2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1Cc2ccc(cc2C1)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1Cc2ccc(cc2C1)N |