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
   -2.1899    0.9765   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348   -0.2338   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8822   -1.4362   -0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085   -0.0631   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7489    1.0635   -0.1519 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761    0.8111   -0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321   -0.5959    0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249   -1.1323   -0.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613    1.7561    0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3478    1.3949   -1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    0.7189    0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723   -1.5653    0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145   -2.2864   -0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    1.5363    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5534    0.7943   -1.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -1.1148   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2811   -0.6237    1.4306 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