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
   -2.0395   -0.6062    1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022    0.0721    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    0.7365   -0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0678    0.0018   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7365    0.5292   -1.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591    0.2784   -0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752   -0.2012    0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9567   -0.6550    0.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9777   -1.1247    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1762    0.1008    2.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382   -1.4037    1.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6594    1.2175   -1.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935    0.7857   -0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824   -0.4720   -1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117    1.2383   -1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9369   -1.0928    0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    0.5954    1.1345 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