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
2.3403 -0.5989 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3046 0.3841 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7139 1.5150 0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1055 0.0883 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0691 0.8904 0.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3496 0.3504 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0533 -1.0911 -0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6616 -1.0572 -0.5819 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9066 -1.3965 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1719 -0.1580 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8094 -1.0920 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7571 1.7384 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9250 2.2244 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8069 0.8887 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0523 0.4593 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2697 -1.7748 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5610 -1.3705 -1.2803 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