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
    3.5020    0.5935   -0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396    0.7529    0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    0.2938    0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429    0.3765    0.8773 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007   -0.1845    0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -0.6615   -1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878   -1.2369   -1.9966 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8408   -0.3331   -1.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0831    0.8513   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -1.2977    1.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652    0.1154   -1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5099    0.9368   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289    1.2265    1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676    1.5948   -0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    0.3112   -0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4155    1.3651    0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -1.0771    2.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203   -1.3381    0.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2251   -2.2889    0.7902 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