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
    3.3001    0.0186   -0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810   -0.2754    0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139   -0.2108    0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4015    0.1295   -0.2074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742    0.0896    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8538   -0.3413    1.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724   -0.5270    2.4714 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -0.5079    1.8882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7579   -0.9804   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6739    1.4016    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3723   -0.0444   -0.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7689    0.3284   -1.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2787   -0.5723    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636   -0.6716   -1.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1691   -1.9249   -0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7537   -1.0640    0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3403    2.1850    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5867    1.7573   -0.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7683    1.2099    0.2561 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