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
    3.5157   -0.4610    0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4192   -0.5961    0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416   -0.2133    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0156   -0.2878    0.8297 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679    0.1622   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365    0.5367   -1.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280    0.9863   -2.3319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    0.2838   -1.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812    1.3553    0.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9940   -1.0061   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4889   -0.7238    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849   -0.0877   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   -0.9786    1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664    1.1218    0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    1.6537    1.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6929    2.2016   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0296   -0.6691   -0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9371   -1.7237    0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6059   -1.5542   -1.1823 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