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
cid=

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
    3.4332   -1.3865   -0.6829 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4947   -0.7805   -0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3387   -0.0379    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450   -0.5435   -0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0295    0.3192    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133   -0.1971    0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508    1.7345   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573    2.8760   -0.3749 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888    1.0541   -0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974   -0.0905    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1519   -1.5959   -0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1434   -0.4610   -1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8122    0.3908    1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263   -1.2818    0.9276 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