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
    3.1048    0.8423    1.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180    1.1365    0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0697    0.3977    0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    0.6254   -0.5787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8849   -0.2500   -0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134   -1.0883    0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630   -1.9971    1.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024   -0.6338    1.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813   -1.0925   -1.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721    0.5274   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389    0.0654    2.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0127    1.3791    1.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932    1.9264   -0.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4824   -2.0431   -1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1666   -1.2997   -1.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6697   -0.5553   -2.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1936    0.8141    0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0028   -0.1641   -0.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    1.4096   -0.8829 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