| CAS Number | 1105694-34-5 |
| Catalog Number | AG01A8L1(AGN-PC-0WO1N3) |
| Chemical Name | octahydro-1H-indole-2-carboxamide |
| IUPAC Name | 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide |
| InChI | InChI=1S/C9H16N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h6-8,11H,1-5H2,(H2,10,12) |
| InChI Key | LGNJUPFFTXYXON-UHFFFAOYSA-N |
| MDL Number | MFCD09936215 |
| Molecular Formula | C9H16N2O |
| Molecular Weight | 168.2361 |
| SMILES | NC(C1NC2C(CCCC2)C1)=O |
| Synonyms | octahydro-1H-indole-2-carboxamide,
1105694-34-5,
AC1Q4ZHD,
SCHEMBL7416598,
AKOS000176221,
AKOS022488533,
MCULE-8530155593,
NE54676,
EN300-61873,
Z992716908,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.24g/mol |
| Monoisotopic Mass | 168.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number