Monomers

2-Prop-1-en-2-yl-4,5-dihydro-1,3-oxazol-3-ium

Identifiers

IUPAC name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazol-3-ium
InchI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3/p+1
InchI Key
LPIQIQPLUVLISR-UHFFFAOYSA-O
SMILES
CC(=C)C1=[NH+]CCO1
Canonical SMILES
CC(=C)C1=[NH+]CCO1
Isomeric SMILES
CC(=C)C1=[NH+]CCO1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10NO+
Heavy Atom Count
8
Molecular Weight
112.152
Exact Molecular Weight
112.0757
Valence Electrons
44
Radical Electrons
0
tPSA
23.2
MolLogP
-0.9282
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.2020   -0.9637   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860    0.2652   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0088    1.4140   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656    0.1601   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7641   -0.9051   -0.1427 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.1853   -0.6216   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549    0.8767   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290    1.2646    0.0538 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2725   -0.7838   -0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435   -1.3700   -1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   -1.7325    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671    2.3396    0.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    1.4491   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -1.8783   -0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381   -1.0572   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554   -0.9928    0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9004    1.3571    0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812    1.1787   -1.2523 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
  5 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
M  CHG  1   5   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers