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
    3.1217   -0.5284    0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    0.0831   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0024   -0.0632   -0.3426 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4357   -0.8910    0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0189   -1.1329    0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8952    0.0450    0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6382    1.2491    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806    0.8824   -1.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2784    0.6053   -1.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9689    0.9857   -2.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902   -0.3964    0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.1310    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8583    0.6785   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9433   -1.8943    0.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7173   -0.5367    1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3174   -1.9447    1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894   -1.5369   -0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9511   -0.2827    0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8737    0.3312    1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8356    1.9035    0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5891    1.8238   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    1.7626   -2.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347   -0.0119   -1.7152 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