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
    2.0739    1.2493    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3214   -0.0272    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0226   -1.1262    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1245   -0.0607    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    0.9556   -0.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2599    0.5298   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1077   -0.9317   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955   -1.2383    0.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347    1.1803    0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.0563    0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.3987   -0.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5032   -2.0861    0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935   -1.1369    0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988    1.0537   -0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7337    0.6612    0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633   -1.4982   -0.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -0.9797   -1.6028 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