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
   -2.1700    1.1029   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665   -0.1198    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842   -1.2499    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -0.0681    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876   -1.0727    0.3345 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2698   -0.7239    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2252    0.6602   -0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889    1.0466   -0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6554    1.8296   -0.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0974    0.8071   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4726    1.5132    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0506   -1.2872    0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4193   -2.1454    0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830   -0.6936    1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022   -1.4574   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843    0.5710   -1.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716    1.2871    0.1241 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