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
-0.8734 1.5415 2.2496 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1420 0.8173 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5001 -0.0885 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5150 0.0905 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8283 -0.2349 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8193 0.6458 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 -1.5635 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2230 -2.6271 0.5719 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4562 -1.1578 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5325 0.1573 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5964 1.1000 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7711 -0.7111 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7957 0.3851 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6839 1.6455 -0.7409 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