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
   -2.0573   -1.1336   -0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665   -0.0186    0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0107    0.8740    0.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0984    0.1069    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403    0.9972    0.6746 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087    0.7774    0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369   -0.2023   -0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8603   -0.7789   -0.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2200   -1.9284    0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117   -1.5180   -1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627   -0.8585   -0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0919    0.7748    1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4615    1.6578    1.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7756    1.6941    0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819    0.2267    1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266   -0.9762   -0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538    0.3056   -1.7915 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