V9X
Summary
Name: | 3-(1H-indol-3-yl)propanamide |
Formula: | C11 H12 N2 O |
Formal charge: | 0 |
Formula weight: | 188.226 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-(1H-indol-3-yl)propanamide |
OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-indol-3-yl)propanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(=O)CCc1c[NH]c2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14) |
InChIKey | InChI | 1.06 | OTVHXWFANORBAK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CCc1c[nH]c2ccccc12 |
SMILES | CACTVS | 3.385 | NC(=O)CCc1c[nH]c2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCC(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCC(=O)N |