Monomers

2-Isopropenyl-2-oxazoline

Identifiers

IUPAC name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
InchI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3
InchI Key
LPIQIQPLUVLISR-UHFFFAOYSA-N
SMILES
CC(=C)C1=NCCO1
Canonical SMILES
CC(=C)C1=NCCO1
Isomeric SMILES
CC(=C)C1=NCCO1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
21.59
MolLogP
0.9912
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.1922    0.9259    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3599   -0.3001    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8627   -1.5100    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1193   -0.0892    0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539   -1.0474    0.1349 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896   -0.5287    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849    0.9158   -0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7767    1.1097    0.1447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.6735    0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7941    1.7089    0.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1678    1.3500   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2019   -2.3479    0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9149   -1.6758    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6878   -0.5262    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -1.1082   -0.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.8531   -1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    1.5967    0.0921 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
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers