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
   -2.3062   -0.3275    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199    0.0385   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7390    0.4078   -1.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1293   -0.0196   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195   -0.3713    0.9425 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.0617   -0.3164    0.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230    0.5774   -0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1576    0.2928   -1.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9441    0.0126    1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4556   -1.4393    0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2719    0.1342    0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    0.6680   -2.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7822    0.4467   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0380   -0.6562    1.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027   -1.3437    0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170    0.0505    1.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771    1.6356   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    0.2100   -0.8106 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