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
    3.5124    0.3864    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    0.5651   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1599    0.2037    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611    0.3483   -0.6146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0582   -0.1010    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -0.5426    1.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3287   -1.0178    2.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601   -0.3315    1.4017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532    1.0304    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6108   -1.2851   -0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988   -0.0257    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5326    0.6485    0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7870    0.9811   -1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510    1.8250    0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269    1.4757   -0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0283    0.6412    0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345   -1.0702   -1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743   -1.5353   -1.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924   -2.1962   -0.0585 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