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
-2.0857 -0.9830 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 0.2294 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9546 1.3890 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0769 0.1180 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8652 1.0906 -0.3117 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1936 0.6052 -0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1807 -0.7966 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7770 -1.0753 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1665 -1.0259 1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6333 -1.9158 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0905 -0.8799 0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4111 2.2752 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9866 1.4825 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9370 1.2617 -0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3952 0.5401 -1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5134 -0.7884 1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7110 -1.5268 -0.6473 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