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
   -2.2044    0.4013    0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158   -0.2204   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773   -0.0936   -0.1145 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874    0.6504    0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291    0.5208    0.7338 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715   -0.3225   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0459   -0.6923   -0.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920    1.0555    1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610    0.3084    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6870   -0.8397   -1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1171    1.2326    1.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2433   -0.6468   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8886   -1.3538   -1.6649 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