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
    3.5308    0.3046   -0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4017    0.8563   -0.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1159    0.2553   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    0.6744   -0.5538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0642   -0.1455    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.1666    0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8010   -2.0941    1.4371 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0325   -0.8683    0.5389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0156   -0.7438   -0.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981    0.7273    1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5051   -0.5840    0.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4606    0.7485   -0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    1.7328   -1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8285   -1.8089   -1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8348   -0.2258   -1.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0528   -0.5693   -0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1528    1.6335    0.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5473    0.1987    1.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0118    1.0750    1.7721 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