Monomers
2-Methyleneglutaronitrile
Identifiers
IUPAC name
2-methylidenepentanedinitrile
InchI
InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
InchI Key
NGCJVMZXRCLPRQ-UHFFFAOYSA-N
SMILES
N#CCCC(=C)C#N
Canonical SMILES
C=C(CCC#N)C#N
Isomeric SMILES
C=C(CCC#N)C#N
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H6N2
Heavy Atom Count
8
Molecular Weight
106.128
Exact Molecular Weight
106.0531
Valence Electrons
40
Radical Electrons
0
tPSA
47.58
MolLogP
1.37
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
14 13 0 0 0 0 0 0 0 0999 V2000
3.2697 1.8471 -0.6242 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4125 1.0327 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4200 0.1192 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1630 0.2097 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9051 -0.6360 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7921 -1.3017 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5457 0.6754 0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9726 1.5212 1.6003 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0864 0.3750 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6982 -0.9466 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0685 1.2347 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5499 -0.1395 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6820 -1.4811 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6337 -2.5101 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 3
5 7 1 0
7 8 3 0
3 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
6 13 1 0
6 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers