AC1LCLLT
2-(cyanomethylsulfanyl)-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: NCGC00027809-02|BAS 01369750|AG-690/13706715|SR-01000452720-1|2-[(cyanomethyl)sulfanyl]-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile|F0837-0922|F0894-0187|A2479/0105330|2-((cyanomethyl)thio)-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile|2-(cyanomethylsulfanyl)-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile|2-Cyanomethylsulfanyl-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindine-3-carbonitrile|2-(cyanomethylthio)-4-cyclohex-3-enyl-5,6,7-trihydrocyclopenta[1,2-b]pyridine- 3-carbonitrile|2-[(cyanomethyl)sulfanyl]-4-(3-cyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11432 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.11432 |
| Monoisotopic Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 337501-07-2 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3CCC=CC3)C#N)SCC#N |
| InChIKey | SWACGRXYUNHHOO-UHFFFAOYSA-N |
Product Overview
AC1LCLLT (CAS 337501-07-2), with molecular formula C17H17N3S and molecular weight 295.11432 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.