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
   -2.1481    0.6134   -0.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3740   -0.1086    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9902   -0.8640    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957    0.0259    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.5531    0.9748 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306   -0.2341    0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351    0.3217   -0.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    0.7756   -0.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9523    1.2524   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6873   -0.1248   -1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4872    1.2794   -1.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0380   -1.0012    1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -1.3930    1.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7854   -1.2021    0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6458    0.4615    1.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439   -0.4481   -1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9129    1.1991   -0.6873 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