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
    3.5336   -0.3707   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807   -0.8994    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1563   -0.2898    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263   -0.6762    0.4603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647    0.1253    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    1.1340   -0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8885    2.0842   -1.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    0.8183   -0.7814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1010   -0.6696   -0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    0.7594    1.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518    0.4869   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061   -0.7826   -0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581   -1.7540    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7519   -1.7107   -0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0065   -0.7533   -0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3864   -0.1289   -1.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2791    1.6237    1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2712   -0.0380    1.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    1.0416    1.9637 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