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
    2.2421   -0.7730    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596    0.3367   -0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8555    1.4391   -0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760    0.1887    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201   -0.8360    0.4802 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.1362   -0.6087    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2883    0.5542   -0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152    1.1828   -0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248   -1.7214   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3164   -0.4767    0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0918   -0.9261    1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732    2.2913   -0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9261    1.5254   -0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792   -1.6907    0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087   -0.2989    1.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254   -1.4922    0.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4332    0.1285   -1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1072    1.1770   -0.1113 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