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
   -2.2462   -0.8554    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149    0.2733   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688    1.4532   -0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1146    0.0935    0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6869   -1.0105    0.5608 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090   -0.7914    0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    0.4418   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0769    1.1150    0.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035   -0.5543    0.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233   -1.6686    0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.3555   -0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1508    2.3276   -0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8258    1.5683   -0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.6618    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037   -0.6030    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627    1.0615    0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389    0.1664   -1.2041 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