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

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
    2.2111    0.9168   -0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3642   -0.1245    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115   -1.0661    0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -0.1503   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7734    0.7214   -0.7532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800    0.4148   -0.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547   -0.4641    0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9782   -1.0754    0.4778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5977    1.8645   -0.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275    1.1299    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4342    0.7118   -1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583   -1.8417    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9801   -1.0554    0.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4686   -0.2336   -1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8346    1.2819   -0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0784   -1.1900    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3281    0.1598    1.4352 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