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
   -2.1404   -0.5957    0.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3231    0.2854    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841    1.3390   -0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953   -0.0306   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7282   -1.0417    0.3166 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097   -1.0346   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2789    0.4463   -0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    0.7284   -0.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964   -1.2657    1.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6977    0.0321    1.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9182   -1.1425    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2962    1.9793   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9129    1.5727   -0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8174   -1.2950    0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2466   -1.5963   -1.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0465    0.6088   -1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888    1.0101    0.4423 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