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
   -2.1885   -1.0882   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3647    0.1018    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9183    1.2453    0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153    0.0163    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093   -0.9951   -0.2417 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385   -0.7197   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2302    0.7978   -0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9922    1.0570    0.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2351   -0.7719   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -1.5843   -1.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1954   -1.7312    0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9883    1.2961    0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3594    2.1360    0.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7485   -1.1141   -1.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180   -1.0258    0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    1.1210   -1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.2592    0.2068 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