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
Resources

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