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
    3.5530    0.5967    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5678   -0.2965    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    0.0708    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1935   -0.7437    0.1771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -0.0927   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999    1.2888   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116    2.2714   -0.6623 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6769    1.3405   -0.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9437   -0.2313    1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311   -0.8107   -1.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    1.6187   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5599    0.3016    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -1.3113    0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7820    0.6378    1.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9947   -0.3794    0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6171   -1.1369    1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520   -1.1443   -1.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1683   -1.7613   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160   -0.2182   -1.7296 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