| CAS Number | 1400744-16-2 |
| Catalog Number | AG001C09(AGN-PC-0WCX85) |
| Chemical Name | (3aR,7aR)-2-Methylhexahydro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one |
| IUPAC Name | (3aR,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one |
| InChI | InChI=1S/C8H14N2O/c1-10-5-6-2-3-9-4-7(6)8(10)11/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1 |
| InChI Key | BVBFTJUIOLVKRS-BQBZGAKWSA-N |
| MDL Number | MFCD17016078 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | [H][C@]12CN(C)C(=O)[C@@]1([H])CNCC2 |
| Synonyms | (3AR,7AR)-2-METHYL-OCTAHYDRO-3H-PYRROLO[3,4-C]PYRIDIN-3-ONE,
(3aR,7aR)-2-methyl-octahydro-1H-pyrrolo[3,4-c]pyridin-3-one,
1242336-75-9,
1400744-16-2,
(3aR,7aR)-2-Methylhexahydro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one,
MFCD17016078,
ZINC95629963,
AKOS025290825,
FCH4160634,
PB18223,
SB10539,
AK170707,
AS-33713,
CS-0053379,
Q-3045,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number