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
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
-2.2355 -0.8555 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3208 0.3025 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8500 1.5073 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1340 0.1099 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9949 1.0312 -0.1414 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3398 0.5351 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0906 -0.9258 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8014 -1.1069 -0.0354 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0387 -0.8661 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6450 -0.9392 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6602 -1.8045 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2246 2.3944 0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9133 1.6337 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8546 1.0294 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8454 0.6143 0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9840 -1.0673 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8432 -1.5925 -0.1405 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