Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.1489    0.8454   -0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659    0.8892    0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    0.4629    0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    0.0184   -0.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -0.3078    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971    0.0140    1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -0.0765    2.3288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2650    0.4751    1.7695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080    0.5809   -0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129   -1.7678   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6289    0.4801   -1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    1.1598   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505    1.2440    1.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6608    1.6293   -0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539    0.4209   -1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9607    0.3998   -0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089   -2.2021   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1618   -1.9493   -0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2355   -2.3163    0.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers