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
   -2.4198   -0.2702    0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402   -0.0651   -0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5747    0.1504   -1.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -0.1050   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1129    0.0509   -0.7762 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.3251   -0.0587    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7627    0.2622    1.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895   -0.3256    1.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2497   -1.2155    1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3786   -0.3114    0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4155    0.5442    1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7807    0.2918   -2.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5942    0.1831   -2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215    0.2278   -1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615   -1.0551    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0462    0.7182   -0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537    1.3268    1.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2993   -0.3488    2.1990 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