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
    2.2022   -0.8545    0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    0.3563   -0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8868    1.5548   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1024    0.1637   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7113   -0.9512    0.0153 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.1556   -0.7467   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2226    0.7414    0.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0484    1.1968   -0.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2984   -1.3887   -0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7126   -1.5523    0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1883   -0.5736    0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3263    2.4544   -0.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    1.6160   -0.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -1.8914    0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760   -1.3563    0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507   -0.8556   -1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0729    0.8767    1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1418    1.2103   -0.0506 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