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
    2.2615    0.8088   -0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3212   -0.3374   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8287   -1.5469   -0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -0.1736    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7168    0.9639    0.1332 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.1504    0.7430    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2705   -0.6689   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0177   -1.2111    0.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7557    1.7081   -0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933    0.5206   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    1.0153    0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843   -2.4234   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8820   -1.6981   -0.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    1.8766    0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010    0.8053    1.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682    1.4839   -0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1162   -1.2179    0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3096   -0.6483   -1.3394 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