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
   -1.2958    0.5703    1.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1477    0.7354    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872    0.1274   -0.4057 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1361    0.2450   -1.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198   -0.4616   -2.0843 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261   -1.0603   -0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8912   -0.6759    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990   -0.0456    2.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1017    1.0437    2.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564    1.3576   -0.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4754    0.8281   -2.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6036   -1.6998   -0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864   -0.9644    1.0884 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