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
    2.0776   -1.3381    1.5550 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973   -0.7098    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519    0.0903   -0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2247    0.8814   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747    0.1089    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0496   -1.2111    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756    0.8767    0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1232    1.4843    0.6347 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2735    0.8336   -0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3743   -0.5935   -1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.6042    0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    1.5242   -1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301   -1.8638   -0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9909   -1.6873    0.3596 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