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
    3.1933   -0.0177    0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322    0.5595   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852    0.1821   -0.2133 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670   -0.8938    0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198   -1.3588    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650   -0.4872    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8887    0.8572   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1913    0.8808   -1.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2557    0.9324   -1.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9122    1.7661   -1.7990 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2247    0.2746    0.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8572   -0.8336    1.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039    1.3715   -0.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   -0.6299    1.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765   -1.7471    0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8796   -2.0797   -0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9480   -2.0903    1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329   -0.9968   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884   -0.3025    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650    1.5517    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051    1.2456   -0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5099    1.7925   -1.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716    0.0233   -2.0861 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