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
    3.1375   -0.8719   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6554    0.3304   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203    0.4842   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3288   -0.4450   -0.1289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843    0.0794    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7495    1.5113    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6038    2.3774    0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    1.7199    0.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.4864    1.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8344   -0.2140   -1.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1979   -1.0472   -0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -1.7304   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3339    1.1459   -0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -1.5094    1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7397   -0.5237    2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620    0.1823    1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2044   -1.2635   -0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2224   -0.1624   -1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7286    0.4229   -1.1774 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