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
    3.2520   -0.2044   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4990   -0.5808    0.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646   -0.4175    0.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028    0.0925   -0.1986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0189    0.1392    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1337   -0.4547    1.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1085   -0.6819    2.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855   -0.7697    1.7552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963   -0.6897   -1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613    1.5825    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150    0.2443   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165   -0.3495   -0.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849   -1.0291    1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3009   -1.7215   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935   -0.7027   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565   -0.3179   -2.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5339    1.7090   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    2.0704    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9099    2.0814   -0.8131 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