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
    3.2247    0.4185   -0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -0.6614   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1413   -0.6870    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3832    0.3280   -0.1422 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0039    0.0151    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620   -1.3803    0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9728   -2.0770    0.9081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3676   -1.7617    0.5372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481    0.1862   -1.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5095    0.9652    1.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2803    0.4542   -0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545    1.3101   -0.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578   -1.5660    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5949    1.2552   -1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8140   -0.0787   -1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128   -0.4171   -1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8383    1.8519    1.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4883    1.3587    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545    0.4859    2.1598 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