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
    3.1093    0.6867   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684   -0.3091   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208   -0.3395    0.2427 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3637    0.7944    0.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912    1.5769    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5541    0.6635   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900   -0.4963    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2348   -1.7598   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2431   -1.5693   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9045   -2.5950   -0.2431 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1142    0.5769   -0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837    1.6282    0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -1.2091   -0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2370    0.5047    1.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1153    1.4975    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616    2.1687   -0.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1950    2.2677    0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4436    1.3050   -0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538    0.2980   -1.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0636   -0.7081   -0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130   -0.2986    1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4579   -2.1439   -1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962   -2.5393    0.5478 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