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
-3.4546 0.7120 1.1103 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3656 0.7379 0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0133 0.7944 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4185 -0.5809 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9748 -0.5026 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5475 0.6579 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6708 -1.7375 -0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2447 -2.7426 -0.8691 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 1.3683 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9948 1.3227 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 -1.1496 0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0287 -1.1192 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5591 0.6554 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0217 1.5837 -0.5966 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