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
2.0776 -1.3381 1.5550 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -0.7098 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4519 0.0903 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2247 0.8814 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9747 0.1089 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0496 -1.2111 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1756 0.8767 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1232 1.4843 0.6347 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2735 0.8336 -0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3743 -0.5935 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3917 1.6042 0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0470 1.5242 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2301 -1.8638 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9909 -1.6873 0.3596 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