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
    2.0794   -1.2410   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926    0.0662    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0891    1.1372    0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0601    0.1612   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939    1.2117    0.1024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1874    0.9462   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434   -0.5669   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995   -0.8918   -0.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8974   -1.9249    0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390   -1.1199   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5604   -1.7077   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    2.0746    0.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    1.1070    0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5709    1.3100   -1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    1.3548    0.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3873   -0.9075    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9364   -1.0092   -0.7314 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