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
    3.5515    0.2928   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548    0.1182   -0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1466    0.0697   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443   -0.0957   -0.8133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947   -0.1061    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4664    0.0906    1.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9767    0.1659    2.5338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936    0.1902    1.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9718    1.0654   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8027   -1.4190   -0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954    0.4004    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    0.3284   -0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    0.0108   -1.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5905    1.9379    0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0297    0.9232   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8046    1.3228   -1.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6221   -1.7832   -1.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948   -1.3611    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630   -2.1512    0.6033 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