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
    3.3587    0.1003    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576    0.3553   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1805    0.2573   -0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4248   -0.0697    0.5100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9648   -0.0680    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626    0.3285   -1.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9456    0.4808   -2.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3733    0.5107   -1.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033   -1.4287    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7787    0.8954    1.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4227    0.1674    0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -0.1837    1.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    0.6409   -1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8508   -2.2575    0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1548   -1.5556    1.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3177   -1.5373   -0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792    0.9703    0.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8438    0.5139    2.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2532    1.8797    0.9999 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