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
   -2.2651   -0.7688    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199    0.3121   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7194    1.4962   -0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1371    0.0682   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0773    0.9017   -0.4288 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3735    0.2953   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827   -0.8404    0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930   -1.1131    0.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119   -0.3084    0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7925   -1.4824    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6092   -1.2680   -0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    2.2661   -0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7723    1.7176   -0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660    1.0039    0.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457   -0.1564   -1.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6776   -1.6777    0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8546   -0.4458    1.8084 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