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
    3.1340    0.6160   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371   -0.2040    0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949   -0.3684    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557    0.2832   -0.1879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878   -0.0523    0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8273   -1.0307    1.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785   -1.5905    1.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5201   -1.1851    1.4452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6988    1.2036    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -0.6858   -1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349    1.2092   -1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.7236   -0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720   -0.7749    1.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605    2.1161    0.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863    1.2206    1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430    1.1563    0.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6753   -0.3788   -1.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399   -0.4719   -1.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6326   -1.7862   -0.9031 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