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
    2.3542   -0.2129   -1.7102 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9274   -0.0804   -0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918    0.0603    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0175   -0.5157    0.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370    0.1550   -0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -0.5525   -1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058    1.5600   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4316    2.7064    0.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830   -0.5056    1.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514    1.1110    1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -1.5930    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4285   -0.3822    1.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2227   -0.1452   -1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268   -1.6050   -1.1664 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