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
   -1.9843   -0.9011   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240    0.2740   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0016    0.3571   -0.0474 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582    1.4792   -0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0516    1.1655   -0.0306 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831   -0.1604    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688   -0.6426    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3882   -1.7705    0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -0.9937   -0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0231    1.1915   -0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3265    2.4616   -0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0543   -0.7752    0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -1.6856    0.2611 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