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
    3.5252    0.0749    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989   -0.1360   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1767   -0.0044   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563   -0.1718   -0.9220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518    0.0257   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5969    0.3571    1.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3434    0.6163    2.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761    0.3191    1.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301    1.1098   -0.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838   -1.3003   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021    0.3364    1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5735   -0.0043    0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733   -0.3898   -1.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9882    0.7602   -0.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    1.2616   -1.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    2.0501   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343   -1.2703    0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200   -2.0727    0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1532   -1.5616   -1.1869 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