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
    3.5343   -0.5050   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371   -0.4558   -0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1385   -0.1941   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0145   -0.1263   -0.8131 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0768    0.1463    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    0.2405    1.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123    0.4742    2.5078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9187    0.0237    1.1608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935    1.4628   -0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -0.9838    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630   -0.3478    0.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108   -0.6954   -0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337   -0.6160   -1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.1400   -0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2707    1.9311    0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2350    1.2935   -1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3706   -1.0859   -1.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9754   -0.7896    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -1.9124    0.3014 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