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
    3.2598   -0.1032   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2919   -0.7136    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9234   -0.4175    0.0907 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    0.5722   -0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159    0.9038   -1.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4889    1.1791    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2491   -0.1125    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4084   -0.9245    1.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0164   -1.1375    0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4731   -2.2198    1.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9844    0.6347   -1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822   -0.3565   -0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213   -1.4647    1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    1.5503   -0.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623    0.2449   -1.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492    0.0662   -1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040    1.8246   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.4046    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1849    2.0375   -0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1738    0.1650    0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455   -0.6898   -0.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291   -0.5040    2.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9045   -1.9393    1.3140 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