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
   -2.1729    1.1010   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3533   -0.1360    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9883   -1.2828    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006   -0.0592    0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8318   -1.0972    0.3866 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263   -0.7555    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2616    0.6262   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113    1.0617    0.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350    1.1599   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0124    1.1362    0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5064    1.9706    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957   -2.2236    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0601   -1.2821    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -0.6876    1.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4423   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790    1.2683    0.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    0.6425   -1.2398 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