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
   -1.1463    0.0865    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1915    0.0941    0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3135    0.2969   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -0.1263   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -0.3373    0.3991 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1768   -0.5169   -0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779    0.2086   -1.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344   -0.1465   -1.5383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878    1.0278    2.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873   -0.8212    2.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823   -0.0032    2.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796    0.3085   -1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102    0.4595    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1376   -0.0608   -0.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1961   -1.5704   -0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7876   -0.1994   -2.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780    1.3001   -1.7292 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