Monomers

N-Vinylcaprolactam

Identifiers

IUPAC name
1-ethenylazepan-2-one
InchI
InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2
InchI Key
JWYVGKFDLWWQJX-UHFFFAOYSA-N
SMILES
C=CN1CCCCCC1=O
Canonical SMILES
C=CN1CCCCCC1=O
Isomeric SMILES
C=CN1CCCCCC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H13NO
Heavy Atom Count
10
Molecular Weight
139.198
Exact Molecular Weight
139.0997
Valence Electrons
56
Radical Electrons
0
tPSA
20.31
MolLogP
1.5325
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.9506   -1.3379   -0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633   -0.6432   -1.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7651   -0.3435   -0.6107 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4845   -0.8863    0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003   -0.7835    1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3675    0.6172    1.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2611    1.6142    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919    1.0209   -1.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    0.4186   -1.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855    0.6309   -2.6190 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.5156   -0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7394   -1.7370    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324   -0.2648   -2.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0496   -0.3934    1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7227   -1.9718    0.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1755   -1.4239    1.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6193   -1.2077    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243    0.6394    1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    0.9393    2.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3026    2.1645    0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0585    2.3983    0.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826    1.7994   -1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990    0.2657   -1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers