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
   -1.9853    1.3240    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3247    0.0330    0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800   -0.9887    0.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1135   -0.0668    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7943   -1.1164    0.3856 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1638   -0.8847    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850    0.2586   -0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    0.9438   -0.3945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3863    2.2024    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746    1.3230   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0109    1.3746    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369   -0.9310    1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640   -1.8951    1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691   -0.6415    0.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300   -1.8158   -0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9429    0.9372   -0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9246   -0.0565   -1.9593 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