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
   -3.7202    0.4635    0.0506 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6216    0.1110    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   -0.3080    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3236    0.3574   -0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761   -0.0787   -0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745    0.8470   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -1.4522   -0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665   -2.5569   -0.6312 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8615    0.0463    1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550   -1.3926    0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429    1.4491   -0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776    0.0344   -1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7376    1.8914   -0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    0.5884   -0.0280 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