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
    3.2255   -0.1897    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4977   -0.9450   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521   -0.6882   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4093    0.2348    0.2862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9924    0.1960   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -0.9224   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0643   -1.3447   -1.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2201   -1.4249   -1.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7675   -0.0945    1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3501    1.5234   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2748   -0.3846    0.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7452    0.6254    1.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9772   -1.7397   -0.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8249    0.1637    1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    0.5031    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951   -1.1903    1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911    2.2234   -0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7186    1.4015   -1.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1363    2.0529   -0.0884 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