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
    2.1030   -0.7232   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506    0.2975    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594    0.3408    0.1445 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    1.3052    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1599    0.9571    0.1576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1415   -0.2599   -0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -0.6561   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1657   -0.7139    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -1.5805   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8323    1.1655    0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6028    2.2565    0.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9876   -0.8127   -0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912   -1.5763   -0.7512 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