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
    3.5688   -0.0229    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963    0.6824    0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624    0.1346    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0671    0.7621    0.3622 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -0.0569    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700   -1.2739   -0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0591   -2.2751   -0.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952   -1.1184   -0.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018    0.6481   -1.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650   -0.2434    1.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638   -1.0044   -0.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5324    0.3771    0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388    1.6670    0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0774    1.6497   -0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434    0.7859   -1.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6457    0.0528   -1.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    0.6599    1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267   -1.1308    1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282   -0.2939    2.1439 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