Monomers

2-Isopropenyl-2-oxazoline

Identifiers

IUPAC name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
InchI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3
InchI Key
LPIQIQPLUVLISR-UHFFFAOYSA-N
SMILES
CC(=C)C1=NCCO1
Canonical SMILES
CC(=C)C1=NCCO1
Isomeric SMILES
CC(=C)C1=NCCO1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
21.59
MolLogP
0.9912
H Bond Acceptors
2
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

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.2355   -0.8555    0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.3025    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    1.5073    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340    0.1099   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9949    1.0312   -0.1414 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398    0.5351   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906   -0.9258   -0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8014   -1.1069   -0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387   -0.8661   -0.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450   -0.9392    1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6602   -1.8045    0.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246    2.3944    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9133    1.6337    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    1.0294   -1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8454    0.6143    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   -1.0673   -1.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432   -1.5925   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers