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
2.1869 -0.4227 -0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3217 0.2506 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8430 1.0931 1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1061 -0.0263 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9432 0.4971 0.9816 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 -0.0116 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1011 -0.5136 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7307 -0.8908 -0.7164 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6702 0.3667 -1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9674 -0.9837 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6177 -1.1108 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2143 1.5715 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8854 1.2824 1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0313 0.7728 0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 -0.8439 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2763 0.3206 -1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7775 -1.3515 -0.9223 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