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
3.6169 0.8257 0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1026 -0.0962 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6469 -0.2231 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1788 -1.2080 -0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1588 -1.3985 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0467 -0.5641 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5376 0.4077 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7927 0.5791 0.5180 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3889 1.2678 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7396 1.0872 0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2686 0.1234 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4089 -0.7018 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6851 0.9122 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9665 1.4772 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7776 -0.7529 -0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8792 -1.8526 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5788 -2.1437 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9988 2.0340 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4561 1.7294 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3325 -0.0158 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7309 -1.4869 -1.3561 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