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
    3.5731    0.1333    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -0.6221    0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1548   -0.1514    0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0692   -0.8140    0.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -0.0281    0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4440    1.2506   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945    2.2875   -0.8005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196    1.1175   -0.1652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7032   -0.6655   -1.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673    0.1609    1.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4502    1.1230    0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5478   -0.2271    0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6735   -1.6284    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -0.9292   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7093    0.0265   -1.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360   -1.5764   -1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2821   -0.8487    1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7637    0.8970    1.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0093    0.4945    0.6842 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