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
    3.0946   -0.2462    0.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    0.2199   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143   -0.0351   -0.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465   -0.8196    0.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -1.1862    0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377   -0.0442    0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312    1.0954   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304    0.6976   -1.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3288    0.4972   -1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747    0.8232   -2.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1492   -0.0677    0.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269   -0.8262    1.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9003    0.7901   -0.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.3195    1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008   -1.8007    0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0262   -1.5659   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847   -1.9904    1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555    0.3170    1.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9617   -0.4371    0.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0459    1.8427    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940    1.6365   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2963    1.5762   -2.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336   -0.1572   -2.0201 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