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
2.3075 -0.1699 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3047 0.2642 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6866 0.7678 1.7121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1195 0.1074 0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -0.3653 -0.8511 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0539 -0.3419 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3142 -0.1947 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1378 0.4851 1.1015 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0776 0.6127 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8307 -0.4463 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8703 -1.0789 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9471 1.0755 2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7168 0.8892 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 -1.2745 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3918 0.5541 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2354 0.3444 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3438 -1.2289 1.1456 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