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
    3.0389   -0.6475   -1.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    0.3674   -0.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9523    0.1978   -0.3010 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.0917    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -1.2498    0.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493   -0.6441   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772    0.7339    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230    1.6871    0.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    1.3522   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3914    2.2563   -1.1506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7797   -1.5804   -0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933   -0.4708   -1.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490    1.3404   -1.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653   -1.8483   -0.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4737   -1.4086    0.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595   -0.8620    1.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909   -2.3501    0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4516   -0.6553   -1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6629   -1.2916    0.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8603    1.1562   -0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133    0.6709    1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3248    2.7447    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732    1.5935    1.6317 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