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
    3.4662   -0.2866   -0.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230   -0.7327   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1315   -0.2246   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642   -0.5997    0.4779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0463    0.0663    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6666    0.9606   -0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489    1.7744   -1.6389 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    0.7288   -1.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1599   -0.8842   -0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    0.9050    1.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008    0.4748   -1.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4879   -0.6203   -0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252   -1.4701    0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8416   -1.0148    0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609   -0.5067   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6767   -1.8585   -0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1178    0.3701    2.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    1.0594    1.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8747    1.8587    1.2975 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