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
    3.5070   -0.3396   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5015    0.2407   -0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572    0.0333   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158    0.5463   -0.6806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    0.1814    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924   -0.6515    1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807   -1.1925    2.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8702   -0.7095    0.9726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850    1.3853    0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991   -0.6678   -0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5102   -0.1968   -0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3993   -0.9307    0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348    0.8372   -1.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778    2.2927    0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7370    1.5126    0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    1.2200    1.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7980   -0.1298   -1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3581   -1.0177   -1.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1995   -1.5965   -0.2611 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