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
   -1.6288    2.3316   -0.5167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    1.8319    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505    1.2105    0.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076   -0.3092    0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1178   -0.8022   -0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657   -1.5706   -1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3529   -0.3505   -1.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3477   -0.0035   -1.6979 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    1.4208    0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    1.4350    2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -0.7006    1.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769   -0.6057    1.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5952   -2.0638   -0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770   -1.8236   -2.1434 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