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
    3.5714    0.1738   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325   -0.6210    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795   -0.0993    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095   -0.7877    0.1688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0839   -0.0160    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5701    1.3442   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770    2.3819   -0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090    1.2329   -0.2661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -0.5682   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611   -0.0643    1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4348    1.2383   -0.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5809   -0.1621   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749   -1.6613    0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9360   -0.2497   -1.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036   -1.6698   -1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661   -0.2219   -2.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8881    0.3684    1.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253   -1.1181    1.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2918    0.4999    2.0869 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