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
2.1815 1.0307 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3606 -0.2047 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9272 -1.3727 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0891 -0.1163 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9016 -1.0935 -0.3129 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2522 -0.6286 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1477 0.7463 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7958 1.0727 0.0424 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0259 0.9938 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 1.0454 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5509 1.9211 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9885 -1.4596 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 -2.2334 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8707 -1.2870 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6339 -0.5612 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7840 1.4683 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3345 0.6788 1.4103 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