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
    3.0271   -1.2175    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463   -0.1770    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0362    0.1015    0.1170 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319   -0.8237   -0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8240   -0.3845   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8398   -0.5840   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0302    0.5533    0.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    1.6582    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644    1.2431    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647    2.0031    1.2691 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6462   -1.8951   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0236   -1.4158    0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530    0.4959    1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534   -0.9411   -1.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -1.8543   -0.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1186   -0.9173   -2.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897    0.7071   -1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8114   -0.8471   -0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775   -1.5314    0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0390    1.0171    0.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    0.1994    1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2896    2.2698   -0.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2148    2.3403    1.4637 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