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
   -1.7993    1.5570   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3159    0.2151    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -0.6004    0.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588   -0.1398   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9134    0.5995   -0.6958 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.1297   -0.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227   -1.1392    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143   -1.3676    0.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547    1.7197   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3248    2.2836    0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9255    1.6061   -0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8365   -1.5982    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1369   -0.2783    1.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662   -0.6009   -1.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007    0.5895   -0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216   -0.6391    1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -2.0772    0.1028 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