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
    3.5386    0.4312   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4721    0.7421    0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1409    0.2612    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0627    0.5140    0.7421 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.1391    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4641   -0.8337   -1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434   -1.5334   -1.8961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865   -0.5651   -1.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0225    0.9486   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7162   -1.1538    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768   -0.2069   -1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    0.7895   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102    1.3769    1.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980    0.8986   -1.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6498    1.9660   -0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0274    0.8560    0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977   -1.7738    0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049   -0.7283    1.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052   -1.8501    1.3313 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