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
-1.5618 1.4315 2.5309 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3534 1.3063 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1177 1.1371 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 0.5405 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6110 -0.7590 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2508 -1.5029 -1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -1.4394 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4005 -2.0105 2.2611 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0788 2.2032 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 0.7123 -0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0030 1.3742 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0991 0.5656 -1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5827 -2.5049 -0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4621 -1.0541 -1.9938 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