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
   -2.1309   -0.5309    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    0.4860   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787    0.3509   -0.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880    1.2797   -0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2328    0.7750   -0.2022 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0891   -0.4921    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300   -0.7584    0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1988   -0.4233    0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843   -1.4873    0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887    1.4456   -0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939    2.2913   -0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8856   -1.2127    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.7235    0.5009 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