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
   -2.2497   -0.7816   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3171    0.3484   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    1.5973   -0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150    0.0971   -0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0160    1.0157   -0.5086 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.3970   -0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0333   -0.9760    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6964   -1.1615   -0.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.5762   -1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2653   -1.2774    0.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2933   -0.5149   -0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201    2.4512   -0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8265    1.7854   -0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7376    0.3563   -1.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954    0.9494    0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058   -1.6816   -0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104   -1.0289    1.0944 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