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
-2.1404 -0.5957 0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3231 0.2854 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8841 1.3390 -0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0953 -0.0306 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 -1.0417 0.3166 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1097 -1.0346 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2789 0.4463 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9575 0.7284 -0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4964 -1.2657 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 0.0321 1.6699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9182 -1.1425 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2962 1.9793 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9129 1.5727 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8174 -1.2950 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2466 -1.5963 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0465 0.6088 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3888 1.0101 0.4423 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