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
    2.2749   -0.7413   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3525    0.3573    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    1.5259    0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1142    0.2073   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6738   -0.8796   -0.3954 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.1114   -0.7632   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3409    0.5301    0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0656    1.1879    0.2326 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613   -0.6122    0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623   -0.7203   -1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214   -1.7516    0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.3574    0.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    1.6986    0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.7609   -0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6579   -1.6086   -0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3752   -0.5629   -1.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900    0.3350    1.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0460    1.2012   -0.2173 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