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
    3.2326    0.2570   -0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6684   -0.3158    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132   -0.3222    0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205    0.1846   -0.4908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0224   -0.0163   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999   -0.7644    1.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7019   -1.1655    2.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5736   -0.9132    1.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8851   -0.7638   -0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.3418    0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6464    0.7536   -1.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912    0.2743   -1.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196   -0.7804    0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139   -1.7391   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878   -0.1900   -1.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8738   -0.8939   -0.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3003    2.0432   -0.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908    1.2933    0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    1.7166    1.2637 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