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
    3.1143   -0.1437    1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -0.2063   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2004   -0.1201   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271    0.0228    0.4319 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942    0.0805   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662   -0.0536   -1.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -0.0621   -2.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5957   -0.1731   -1.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790   -1.1023    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6224    1.3944    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702   -0.2118    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642   -0.0258    1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3150   -0.3255   -1.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7455   -1.2209   -0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -1.0777    1.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934   -2.0152    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9731    2.1948   -0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6295    1.5353   -0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    1.5103    1.3719 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