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
-1.1173 -0.3235 2.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1530 0.0642 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3298 0.3630 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0593 0.1107 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1694 0.4255 -1.3149 N 0 0 0 0 0 4 0 0 0 0 0 0
1.5460 0.3553 -1.7646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1763 -0.5063 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3213 -0.1940 0.4222 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9364 0.2151 2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3616 -1.4250 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1327 -0.1721 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 0.6447 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2228 0.3301 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 0.6973 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6404 -0.1672 -2.7414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9956 1.3694 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0988 -1.5773 -0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2193 -0.2100 -0.4839 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