Compound C13H11N3

2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile

CAS: 6687-82-7

Molecular Formula	`C13H11N3`
Molecular Weight	209.25 g/mol
LogP	1.8
Topological Polar Surface Area	50.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	209.09529
Heavy Atoms	16
Complexity	360.0

Chemical Identifiers

CAS Number	6687-82-7
SMILES	`C1CN(CC2=CC=CC=C21)C=C(C#N)C#N`
InChIKey	`XWXNAUJZOYZIRK-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H11N3 (CAS: 6687-82-7) is a chemical compound with molecular formula C13H11N3 and molecular weight 209.25 g/mol. Its IUPAC systematic name is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile. LogP 1.8 Topological Polar Surface Area 50.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 209.09529 Heavy Atoms 16 Complexity 360.0 InChI Key: XWXNAUJZOYZIRK-UHFFFAOYSA-N. SMILES: C1CN(CC2=CC=CC=C21)C=C(C#N)C#N.

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