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
   -2.0378   -0.1025   -1.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742   -0.0139    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -0.0659    1.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0719    0.1281    0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8845    0.1884   -0.8940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2585    0.3298   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -0.1851    0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355    0.2239    1.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6839    0.7256   -1.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1193   -0.1365   -1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -1.0390   -1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7080   -0.0077    2.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1763   -0.1703    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243    1.3652   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615   -0.3825   -1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344    0.4002    1.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161   -1.2577    1.0561 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