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
   -2.1901   -0.9105   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3527    0.1709    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202    1.1842    0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0984    0.1561   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7712   -0.8077   -0.6222 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1787   -0.5653   -0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653    0.4765    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033    1.0980    0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5732   -1.8020   -0.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814   -1.2865    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7783   -0.5772   -1.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9908    1.2157    0.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670    2.0053    1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760   -1.4417   -0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702   -0.0615   -1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    1.1618    0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2866   -0.0163    1.5512 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