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
   -2.1728   -0.0399    0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995    0.6715   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    0.1260   -0.2039 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4467   -1.0831    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488   -1.2592    0.0315 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2139   -0.1520   -0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876    0.7486   -0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0145   -1.0245    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1558    0.4090    0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837    1.6645   -0.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1623   -1.8603    0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284    0.0721   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529    1.7272   -1.1425 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