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
    3.1516   -0.4945    0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    0.4975   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399    0.2198   -0.2671 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6099   -1.1850   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8825   -1.3195   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4567   -0.6248    0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    0.6983    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3672    1.4336   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906    1.3562   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7447    2.4504   -0.4712 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8620   -1.5325    0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2029   -0.3000    0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6464    1.5067   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434   -1.7384   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9142   -1.6297    0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2177   -2.3732   -0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.8104   -1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -0.4526    1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1917   -1.3016    1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135    1.3452    1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    0.5897    0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6610    2.5198   -0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7218    1.1453   -1.5859 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