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
2.7722 -0.2409 -0.5637 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9639 0.0237 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9692 0.3569 1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3009 -0.3759 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8131 0.0196 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9232 -0.9310 -1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1741 1.3676 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 2.4385 -0.9689 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8302 1.4490 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2784 0.0169 2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 -0.0694 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1139 -1.4482 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2951 -0.6519 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6625 -1.9549 -1.1536 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