| CAS Number | 1443980-85-5 |
| Catalog Number | AG01A5BU(AGN-PC-0WO131) |
| Chemical Name | 6-Methyl-1H,2H,3H,5H,6H-pyrrolo[2,3-c]pyridin-5-one |
| IUPAC Name | 6-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one |
| InChI | InChI=1S/C8H10N2O/c1-10-5-7-6(2-3-9-7)4-8(10)11/h4-5,9H,2-3H2,1H3 |
| InChI Key | YVNJYIVGFDDEFX-UHFFFAOYSA-N |
| MDL Number | MFCD24842864 |
| Molecular Formula | C8H10N2O |
| Molecular Weight | 150.1778 |
| SMILES | CN1C(=O)C=C2C(NCC2)=C1 |
| Synonyms | 6-methyl-1H,2H,3H,5H,6H-pyrrolo[2,3-c]pyridin-5-one,
1443980-85-5,
ZINC94986245,
AKOS026726420,
NE40901,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.181g/mol |
| Monoisotopic Mass | 150.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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