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
   -2.2611    0.0204   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    0.7706    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    0.1450    0.0124 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3468   -1.1742   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6777   -1.3719   -0.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -0.1839    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906    0.7476    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    0.4314   -0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1913   -1.0572   -0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2602    1.8407    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3717   -1.9866   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896   -0.0035    0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    1.8216    0.1588 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