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
   -2.0853    0.6259   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3356   -0.3479    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764   -0.3061    0.1461 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   -1.2765    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324   -0.8609    0.3650 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1193    0.3328   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098    0.6865   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511    0.5686   -0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5999    1.4700   -0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8071   -1.2273    0.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5707   -2.2021    1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482    0.9552   -0.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306    1.5819   -0.8192 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