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
    3.5293    0.5256   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    0.8222   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1255    0.2593   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0252    0.4821   -0.8737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0438   -0.2086   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085   -0.9120    0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7299   -1.6704    1.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213   -0.5830    0.7251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9391    0.8394    0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8468   -1.1529   -1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865   -0.1257    0.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763    0.9183   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    1.4752   -1.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190    1.8719    0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9269    0.7485    1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730    0.7181    0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2293   -2.0034   -1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7494   -1.4276   -0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1877   -0.5773   -1.8961 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