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
   -2.1432    0.8510    0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3331   -0.1657   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332   -1.0984   -0.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1288   -0.1553   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986    0.7095    0.6371 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078    0.4222    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2294   -0.3374   -0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9944   -1.0627   -0.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    1.3565    1.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9604    0.3646    1.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5731    1.5943   -0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -1.8332   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081   -1.1211   -0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878    1.3623    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393   -0.2719    1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841   -0.9881   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458    0.3734   -1.6524 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