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
-0.7040 1.0732 2.6840 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3392 1.2804 1.5345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0679 1.5396 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8074 0.3517 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 -0.8581 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2311 -1.9785 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2707 -0.7746 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2197 -0.6956 -1.8475 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7744 1.8384 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 2.3703 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0089 0.5978 -1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7431 0.2116 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4400 -2.8150 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1057 -2.1412 0.7958 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