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
   -2.2217    0.7497   -0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169   -0.3805   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599   -1.6007    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937   -0.1137    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860   -0.9767    0.4885 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -0.3277    0.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846    0.9865   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    1.1451    0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170    1.6678   -0.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9393    0.9404    0.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937    0.5398   -1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973   -2.3855    0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.8222   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671   -0.1859    1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0145   -0.9671    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.9026   -1.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5573    1.8282    0.3947 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