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
2.3462 -0.5909 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2942 0.4351 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 1.7062 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1003 0.0424 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5505 -1.1521 0.2966 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9541 -1.1902 0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3789 0.2365 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1497 0.9084 0.4931 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -1.3464 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6771 -1.0850 0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2359 -0.0879 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8366 2.4475 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5895 2.0261 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 -1.8911 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1910 -1.4266 1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1506 0.5804 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6558 0.3875 -0.7737 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