Monomers
2-Vinylquinoline
Identifiers
IUPAC name
2-ethenylquinoline
InchI
InChI=1S/C11H9N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-8H,1H2
InchI Key
XUGNJOCQALIQFG-UHFFFAOYSA-N
SMILES
C=Cc1ccc2c(n1)cccc2
Canonical SMILES
C=CC1=NC2=CC=CC=C2C=C1
Isomeric SMILES
C=CC1=NC2=CC=CC=C2C=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9N
Heavy Atom Count
12
Molecular Weight
155.2
Exact Molecular Weight
155.0735
Valence Electrons
58
Radical Electrons
0
tPSA
12.89
MolLogP
2.8778
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
4.0204 0.2683 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9033 0.9443 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5911 0.3342 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3849 -1.0238 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0922 -1.5487 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0073 -0.7209 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 0.6344 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4884 1.1297 -0.2589 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8265 1.5258 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1161 1.0362 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3394 -0.3178 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2904 -1.2043 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9905 0.7400 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0768 -0.8261 -0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9866 2.0298 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2432 -1.6745 -0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0367 -2.6278 -0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6255 2.6058 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9715 1.7275 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3309 -0.7417 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4698 -2.2904 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
8 3 1 0
12 6 1 0
1 13 1 0
1 14 1 0
2 15 1 0
4 16 1 0
5 17 1 0
9 18 1 0
10 19 1 0
11 20 1 0
12 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers