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
2.4183 2.4244 -1.5202 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7432 1.8218 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9065 1.0539 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1870 -0.0663 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6648 -0.8623 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9690 -0.9244 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1278 -1.5677 1.3778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3182 -2.1479 2.2734 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1285 1.7557 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5034 0.6391 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3989 0.4484 -1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9915 -0.6697 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4136 -0.4077 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6224 -1.4972 0.6546 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