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
   -2.0380   -1.2655    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2266   -0.2964   -0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346    0.2230   -1.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153    0.0467   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8895    0.8578   -0.7292 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    0.9838   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752    0.3844    1.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -0.4437    1.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3651   -2.1344    0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8362   -1.6602   -0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3592   -0.8333    1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7222   -0.0426   -1.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683    0.9082   -2.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8905    0.3309   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4805    2.0283    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970   -0.2535    1.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6011    1.1665    2.0655 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