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
    3.5312    0.0196   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946    0.5564    0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1674    0.1214    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0805    0.5717    0.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926   -0.0207    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -0.9446   -0.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970   -1.6931   -1.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394   -0.8038   -0.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144   -0.7914    1.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317    1.0462   -0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260    0.3222    0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4189   -0.7136   -0.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    1.2989    1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7662   -0.1667    2.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8221   -1.1043    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2026   -1.7113    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328    1.6479    0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520    1.7187   -1.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6513    0.6465   -1.3628 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