Monomers

1-Vinylimidazole

Identifiers

IUPAC name
1-ethenylimidazole
InchI
InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
InchI Key
OSSNTDFYBPYIEC-UHFFFAOYSA-N
SMILES
C=Cn1cncc1
Canonical SMILES
C=CN1C=CN=C1
Isomeric SMILES
C=CN1C=CN=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H6N2
Heavy Atom Count
7
Molecular Weight
94.117
Exact Molecular Weight
94.0531
Valence Electrons
36
Radical Electrons
0
tPSA
17.82
MolLogP
0.9836
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.0162   -0.8080    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131    0.3404    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119    0.3399   -0.0446 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963    1.4461   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0979    1.0770   -0.2380 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1764   -0.2535   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8651   -0.6902    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716   -1.7215    0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888   -0.8342    0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    1.2624   -0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416    2.4751   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.9086   -0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513   -1.7249    0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  3  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  6 12  1  0
  7 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers