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
   -2.2991    0.6116    0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158   -0.3203   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7427   -1.4432   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1104    0.0078   -0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288    1.0699    0.1189 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0684    1.0526   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454   -0.3894   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1206   -0.8060   -0.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332    1.3877    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9866    0.0022    0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9012    1.0567   -0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383   -2.1312   -1.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.7156   -0.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5999    1.4152    0.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3082    1.6785   -0.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2011   -0.5085   -1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172   -0.9680    0.5846 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