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
   -1.8921    1.3394   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3635   -0.0130   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565   -1.0550   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0695   -0.2519   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680    0.7081   -0.0969 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.2796    0.1305    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874   -1.1339    0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045   -1.4677    0.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2253    1.9664   -1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8641    1.2847   -1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0738    1.8671    0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2091   -0.9187   -0.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7971   -2.0713   -0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098    1.7218   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    0.7836    0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6968   -0.1114   -0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6501   -1.9175    0.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   -0.8611    1.8727 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