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
    3.1769    0.0210    1.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6786   -0.2728   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462   -0.2386   -0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3674    0.0778    0.5242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9488    0.0238   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128   -0.3884   -1.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6177   -0.5629   -2.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560   -0.5345   -1.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496   -0.9452    0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6199    1.4079   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -0.0087    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.3069    1.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3647   -0.5481   -0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171   -1.5654   -0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5801   -0.3761    1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2740   -1.5673    1.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940    1.3010    0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4476    1.9098   -0.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    1.9598    0.8055 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