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
    2.1707   -0.2341    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498    0.6486    0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1088    0.3176    0.1232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.1034    0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3211    0.4637    0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9732   -0.7373   -0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6075   -0.8207   -0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333   -0.0553    0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9243   -1.1982   -0.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5268    1.5934    0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1748    2.1120    0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842   -1.4947   -0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353   -1.6984   -0.7092 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