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
    3.5264    0.3421   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3852    0.6949   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1084    0.2129   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650    0.4681   -0.7162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0519   -0.1521    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719   -0.8735    1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7530   -1.5682    2.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0393   -0.5996    0.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9589   -1.0850   -0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8565    0.9584    0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786   -0.2936    0.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563    0.6809   -0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945    1.3290   -1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7607   -1.4001    0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3671   -1.9554   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3549   -0.4839   -1.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795    1.8173    0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6769    1.3067    0.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923    0.6013    1.7461 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