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
   -2.0446    1.1115    0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3811   -0.0193    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1064   -1.0017   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812   -0.0088   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8871    0.8752    0.2994 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655    0.5499   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1734   -0.9424   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -1.0113   -0.7584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630    1.4129    1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218    0.8318    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    1.9307   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743   -0.9510   -0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988   -1.8123   -0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838    1.0350   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9452    0.8146    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8341   -1.2796   -1.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290   -1.5352    0.6658 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