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
    3.5988    0.1773    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5475   -0.5067   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -0.0795   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082   -0.6962   -0.4196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0562    0.0014    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5189    1.1507    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1482    2.0506    1.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    1.0720    0.6776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618   -0.9301    0.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9163    0.3754   -1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4086    1.0818    0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983   -0.1304   -0.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280   -1.4041   -0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -0.6214    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5033   -0.9936    1.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7909   -1.9456    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910   -0.4084   -1.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918    0.4547   -0.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    1.3519   -1.5186 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