Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-

Substructure search Find similar structures

Basic information

CAS: 6687-82-7
Standard SMILES: N#CC(C#N)=CN1CCc2ccccc2C1
InChIKey: XWXNAUJZOYZIRK-UHFFFAOYSA-N
Molecular formula: C13H11N3
Average molar mass: 209.25 g/mol
Monoisotopic mass: 209.09529736

Names & identifiers

Preferred name: Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-
IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile
English name: [(3,4-Dihydroisoquinolin-2(1H)-yl)methylene]malononitrile
Molecular formula: C13H11N3
Molecular weight: 209.25

Names & synonyms

6687-82-7NSC 85626BRN 1684679MALONONITRILE, ((3,4-DIHYDRO-2(1H)-ISOQUINOLYL)METHYLENE)-((3,4-Dihydro-2(1H)-isoquinolyl)methylene)malononitrilePropanedinitrile, ((3,4-dihydro-2(1H)-isoquinolinyl)methylene)-[(3,4-Dihydro-2(1H)-isoquinolyl)methylene]malononitrileMalononitrile, [(3,4-dihydro-2(1H)-isoquinolyl)methylene]-RefChem:351852Propanedinitrile, ((3,4-dihydro-2(1H)-isoquinolinyl)methylene)-(9CI)2-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)malononitrileNSC-85626

Show more names

[(3,4-Dihydroisoquinolin-2(1H)-yl)methylene]malononitrilePropanedinitrile, 2-[(3,4-dihydro-2(1H)-isoquinolinyl)methylene]-

F0418-0008NSC85626EY92H3Z8BPDTXSID90985493SMSSF-0051605WLN: T66 CNT&J C1UYCN&CNAKOS003608833SR-01000006112

Database identifiers

CAS: 6687-82-7
PubChem CID: 23156
DTXSID: DTXSID90985493
UNII: EY92H3Z8BP
Nikkaji: J41.620G

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 360

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…