AC1MKLSC
N,N-bis(cyanomethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: Oprea1_288943|BAS 09976872|AF-399/41585689|N,N-bis(cyanomethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide|(1S,4S)-N,N-BIS(CYANOMETHYL)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE|N,N-bis(cyanomethyl)(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carboxami de|N,N-bis(cyanomethyl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.12698 g/mol |
| LogP | 0.98406 |
| Topological Polar Surface Area | 94.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.12698 |
| Monoisotopic Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 540.9919 |
Chemical Identifiers
| CAS Number | 613658-61-0 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)N(CC#N)CC#N)C)C |
Product Overview
AC1MKLSC (CAS 613658-61-0), with molecular formula C14H17N3O3 and molecular weight 275.12698 g/mol. IUPAC: N,N-bis(cyanomethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
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