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
    2.7969   -0.6534   -0.8303 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8961   -0.8437   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7809   -1.0801    0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1041    0.0869    0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571    0.6494   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835    0.0936   -1.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5925    1.7867   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870    2.7236    0.0591 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868   -1.4249    1.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1556   -1.9513    0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8835   -0.1163    1.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4842    0.9334    1.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113   -0.7795   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041    0.5755   -2.3089 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