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
    2.2423    1.7718    2.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5534    0.6681    1.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201    0.4215    0.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0092   -0.6365    0.5531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6778   -0.5582   -0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2584    0.7560   -1.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5784    1.3002   -2.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5984    1.2998   -0.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -1.6333   -1.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1775   -0.5643   -0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073    2.5059    1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    1.9520    2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.0576    2.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240   -1.9117   -1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1608   -1.1970   -2.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8942   -2.5341   -1.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5201   -1.4257    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4916    0.3468   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6247   -0.5038   -1.5650 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