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
Resources
cid=

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
    3.0345   -1.4944    1.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9616   -0.9396    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6675   -0.4120   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177    0.1919   -1.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3154    0.6992   -1.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7679    0.5927   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6247   -0.0051    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5715   -0.4849    0.7471 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6861   -0.1301    1.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9536    0.3466    0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0572    0.9384   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0259    1.0751   -1.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1712   -1.5583    2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657   -1.8904    1.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427   -0.8754   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    0.2608   -1.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1817    1.1714   -2.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.6025    2.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7936    0.2547    1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0265    1.3183   -0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198    1.5435   -2.2092 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