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
-2.0874 0.7369 0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3713 -0.0825 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0152 -0.6984 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0737 -0.2277 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7826 0.3352 0.9749 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1674 -0.0175 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1799 -0.3547 -0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8880 -0.9763 -0.7927 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1495 1.7800 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1585 0.4326 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5565 0.7262 1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0665 -0.5906 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5062 -1.3106 -1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4668 0.9605 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3507 -0.9612 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8715 0.7915 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9816 -1.0696 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1491 0.5260 -1.3433 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