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
2.2022 -0.8545 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3520 0.3563 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8868 1.5548 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1024 0.1637 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7113 -0.9512 0.0153 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.1556 -0.7467 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2226 0.7414 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0484 1.1968 -0.3109 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 -1.3887 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7126 -1.5523 0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1883 -0.5736 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3263 2.4544 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9602 1.6160 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2450 -1.8914 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6760 -1.3563 0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5507 -0.8556 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0729 0.8767 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1418 1.2103 -0.0506 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