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
   -2.1332   -0.4124    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654    0.4864    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1185    0.3269    0.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227    1.1562    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    0.6199    0.0968 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0111   -0.5330   -0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -0.7149   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911   -0.2936    0.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430   -1.3006   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5874    1.3644    0.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9686    2.0653    1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7531   -1.1877   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344   -1.5768   -0.9150 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