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
    3.2200   -0.5927    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315    0.3746    0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9704    0.1615    0.1066 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168   -1.1564   -0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -1.1805   -0.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -0.6109    0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062    0.7761    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    1.6307   -0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1406    1.3053    0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5094    2.1830    1.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8953   -1.5624    0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2346   -0.4422    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    1.3413    0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080   -1.9306    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -1.4069   -1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1137   -2.2678   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0563   -0.7219   -1.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805   -1.2534    0.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112   -0.6008    1.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959    0.6905   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4922    1.2400    1.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278    1.3181   -1.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126    2.7055   -0.4183 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