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
   -2.0253    0.7182    1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3455    0.1816   -0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0348    0.0301   -1.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0695   -0.1589   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7948   -0.0378    1.0076 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1378   -0.4807    0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791   -0.3227   -0.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8209   -0.6751   -1.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4815    1.6183    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614   -0.0930    1.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0528    1.0432    0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5362   -0.3690   -2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0719    0.2911   -1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8920    0.2278    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3298   -1.5238    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    0.6771   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463   -1.1264   -1.1866 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