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
2.3396 0.7811 -1.6156 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8412 0.0354 -0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2216 -0.9158 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2103 -0.2765 0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9143 0.3713 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0798 0.3889 -1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9198 1.0406 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7320 1.5692 1.6479 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7865 -1.7811 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9913 -1.3802 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7604 0.4308 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1472 -1.0857 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9496 0.8958 -1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4080 -0.0739 -1.8169 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