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
3.5422 1.3132 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 0.2334 0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6630 -0.1334 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2237 -1.2775 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1328 -1.5606 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0176 -0.7504 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.3954 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 0.6688 -0.5588 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3901 1.2151 -1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7391 0.9655 -1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2394 -0.1806 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3688 -1.0050 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 1.9539 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5847 1.5652 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7788 -0.4159 0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8952 -1.9342 1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5366 -2.4524 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0047 2.0991 -1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4241 1.6041 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2968 -0.4168 -0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7759 -1.8868 0.3612 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