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
   -2.2279   -0.8675    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3648    0.2259    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292    1.3467   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0896    0.1078    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346   -0.9108    0.4182 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -0.7556    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    0.4984   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    1.0515   -0.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619   -1.4722   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0748   -0.4938    1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -1.4935    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.1538   -0.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0019    1.4788   -0.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6407   -1.6181   -0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893   -0.5945    1.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    0.1960   -1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0679    1.1472   -0.1333 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