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
    2.5618   -1.4933    1.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0778   -0.2772    1.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593    0.0280    0.3651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -1.0784   -0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6409   -0.6820   -1.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9199   -0.2899   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431    0.9653    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7348    1.8898   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166    1.3892    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487    2.2314    0.9933 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299   -2.2828    0.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3989   -1.6991    1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5158    0.5116    1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912   -1.4765   -1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1192   -1.9305    0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543    0.0539   -2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8746   -1.6022   -1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2292   -1.1302   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7017   -0.1980   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048    1.5397    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494    0.6993    1.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669    1.9365   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442    2.8954    0.1793 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