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
   -2.2497   -0.8188   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424    0.3455    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7632    1.5829    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991    0.0574    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    0.9893    0.2759 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3350    0.3884    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247   -0.9085   -0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7291   -1.1731    0.0438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8703   -1.4714   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2971   -0.5347   -0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255   -1.4330    0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8094    1.8110    0.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647    2.3870    0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0928    0.9910   -0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5872    0.1385    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947   -0.6569   -1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7494   -1.6946   -0.2658 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