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
    1.3407   -2.1509    1.2528 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4188   -1.1820    0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    0.0492   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2301    0.2434   -0.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763    0.3274    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8419   -0.5524   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8753    1.3664    1.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    2.2201    1.8413 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412    0.9348    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3716   -0.0319   -0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -0.5754   -1.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883    1.1768   -1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487   -0.5026    0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388   -1.3229   -0.7552 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