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
   -2.1710   -0.6384    0.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    0.2500    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9489    1.1364   -0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1168    0.1724   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    0.8776   -0.6857 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3197    0.5194   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1334   -0.8770    0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8581   -0.7143    0.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -1.3491    0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635   -1.2340    1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9576   -0.0989    1.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0220    1.2548   -0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881    1.8222   -1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9079    0.3924   -1.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282    1.2029    0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966   -1.6387   -0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735   -1.0779    0.9539 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