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
    3.1370    0.4362   -0.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877   -0.2326    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9727   -0.1223    0.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4403    0.8214   -0.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675    1.2465   -0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558    0.1291   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9816   -0.4182    0.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9950   -1.5361    1.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3676   -0.9375    1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -1.1805    2.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2148    0.2949   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7898    1.1418   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867   -0.9052    0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5715    0.4962   -1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0652    1.7593   -0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0677    1.9485    0.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704    1.8529   -1.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7577   -0.6384   -1.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    0.5640   -0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -0.8102    1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6608    0.4117    1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974   -2.2850    0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777   -2.0363    2.0331 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