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
    3.5250    0.4623   -0.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -0.1833   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.0111   -0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2797   -0.5582    0.4632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332   -0.1504    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670    0.8298   -1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6307    1.4767   -1.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146    0.8680   -1.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561   -1.3026   -0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7554    0.5361    1.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871    1.1541   -1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    0.3047   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0449   -0.8726    0.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3461   -2.2697   -0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027   -1.3547    0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048   -1.1711   -1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5617   -0.0931    1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0133    0.8355    1.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2282    1.4774    0.8770 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