Monomers
2-Prop-1-en-2-yl-4,5-dihydro-1,3-oxazol-3-ium
Identifiers
IUPAC name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazol-3-ium
InchI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3/p+1
InchI Key
LPIQIQPLUVLISR-UHFFFAOYSA-O
SMILES
CC(=C)C1=[NH+]CCO1
Canonical SMILES
CC(=C)C1=[NH+]CCO1
Isomeric SMILES
CC(=C)C1=[NH+]CCO1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10NO+
Heavy Atom Count
8
Molecular Weight
112.152
Exact Molecular Weight
112.0757
Valence Electrons
44
Radical Electrons
0
tPSA
23.2
MolLogP
-0.9282
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
-2.2972 -0.1629 0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3594 -0.1418 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8519 -0.3536 -1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0522 0.1099 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9926 0.1607 -0.8888 N 0 0 0 0 0 4 0 0 0 0 0 0
2.2810 0.4322 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0319 0.0321 1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 0.3434 1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8275 -0.5953 1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1955 -0.7982 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6668 0.8691 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1648 -0.3375 -2.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8983 -0.5408 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7885 0.0149 -1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5822 1.4893 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0206 -0.2460 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2457 -1.0189 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6286 0.7433 1.7823 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
5 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
M CHG 1 5 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers