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
   -2.2665   -0.3242    0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2697    0.5165    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.6078   -0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606    0.1341   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1294    0.7562   -0.5714 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3845    0.0658   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562   -1.2959    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671   -1.0041    0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9575   -0.7760   -0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745   -1.0901    1.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070    0.3381    1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597    2.2937   -1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451    1.8482   -0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0443    0.5785    0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8691    0.0302   -1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551   -1.9984   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6137   -1.6803    0.8400 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