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
   -2.0264    0.1385   -1.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3671   -0.1805   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232   -0.7041    0.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653    0.0890    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275    0.6075   -0.7604 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837    0.7418   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703   -0.2325    0.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070   -0.1512    1.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115    0.2263   -2.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6112    1.0726   -1.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300   -0.7419   -1.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -0.9108    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5253   -0.9198    1.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    0.4164   -1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174    1.7720    0.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8634    0.0435    1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3188   -1.2668    0.5358 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