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
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
2.1720 -1.0766 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3658 0.1657 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9471 1.3267 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0889 0.1297 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -0.9602 -0.2606 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 -0.7014 -0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2576 0.7105 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9751 1.1780 -0.2088 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7067 -1.7794 -0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2111 -0.9303 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0893 -1.5976 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3654 2.2246 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0058 1.3834 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4556 -0.6513 -1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7724 -1.3798 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0721 1.2878 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3138 0.6703 1.2436 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