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
    3.2502    0.1481    0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454    0.7602   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985    0.3285   -0.1237 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233   -0.8145    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6057   -1.4599    0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543   -0.9854   -0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2097    0.3174    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238    1.4332   -0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292    1.1146   -0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3837    1.6464   -1.9273 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    0.4777    0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945   -0.7174    0.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    1.6210   -0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271   -1.6069    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1112   -0.6429    1.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710   -2.5808    0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878   -1.2375    1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1091   -0.9361   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3741   -1.7480   -0.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2725    0.3633   -0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2570    0.4238    1.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4540    2.3685    0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9639    1.7268   -1.4952 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