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
    2.2959   -0.5508   -0.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514   -0.0975    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825    0.3079    1.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925   -0.1043    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135    0.2520    0.8630 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.3071    0.0999    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035    0.2049   -1.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6837   -0.5150   -1.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2777   -0.8223   -0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8753   -1.4792   -1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3368    0.2078   -1.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1043    0.6286    2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394    0.3137    1.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617    0.5952    1.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608   -0.9226    0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284    0.8839    0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475   -0.2492   -1.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648    1.2472   -1.4650 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