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
    3.2949   -0.2066   -0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486   -0.7476   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680   -0.4197   -0.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269    0.6313   -0.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489    1.5047   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8919    0.8855   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0452   -0.0510    0.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3595   -1.3714    0.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988   -1.1484    0.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6382   -1.6660    1.8248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677    0.5863   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3220   -0.5915   -0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133   -1.5573    0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3396    1.2857   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248    0.1237   -1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1999    1.8829    0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296    2.3984   -1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698    0.3738   -1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.6936   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543    0.4224    1.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1089   -0.1569    1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7220   -2.1700    1.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5728   -1.7016   -0.3602 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