| CAS Number | 1097161-86-8 |
| Catalog Number | AG01A7YV |
| Chemical Name | 2-(5-amino-1H-indol-1-yl)-1-(morpholin-4-yl)ethan-1-one |
| IUPAC Name | 2-(5-aminoindol-1-yl)-1-morpholin-4-ylethanone |
| InChI | InChI=1S/C14H17N3O2/c15-12-1-2-13-11(9-12)3-4-17(13)10-14(18)16-5-7-19-8-6-16/h1-4,9H,5-8,10,15H2 |
| InChI Key | GRNOFVOEZBWMHR-UHFFFAOYSA-N |
| MDL Number | MFCD12654343 |
| Molecular Formula | C14H17N3O2 |
| Molecular Weight | 259.3037 |
| SMILES | NC1=CC2=C(N(C=C2)CC(N2CCOCC2)=O)C=C1 |
| Synonyms | 2-(5-amino-1H-indol-1-yl)-1-(morpholin-4-yl)ethan-1-one,
1097161-86-8,
AC1Q52DC,
CTK7D8440,
ZINC37371594,
AKOS009351346,
MCULE-8974229174,
NE26036,
EN300-60222,
Z993991028,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.309g/mol |
| Monoisotopic Mass | 259.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number