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
    3.5724    0.2545   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    0.4710   -0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1699    0.1457   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433    0.3320   -0.7598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615   -0.0784    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193   -0.5591    1.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217   -1.0177    2.2952 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9501   -0.3977    1.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9565    1.1138    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8304   -1.2200   -0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450    0.4751   -0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039   -0.1645    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.8917   -1.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2834    1.9752    0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7071    0.9733    1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4015    1.3632   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382   -1.4955   -1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7562   -2.1387    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8995   -0.9238   -0.6365 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