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
    3.0606   -1.1138   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207   -0.1480   -0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690    0.0086   -0.2889 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5297   -0.9130    0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956   -0.6914    1.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.3216    0.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370    1.1547    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340    1.2516   -1.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    1.0736   -0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0132    2.0418   -1.3411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -1.7985    0.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0997   -1.2105   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.5201   -1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684   -1.9859    0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633   -0.7996    1.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    0.0468    2.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0859   -1.6594    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8699   -0.4853    1.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0164   -0.9385   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610    1.6986    0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9480    1.5627   -0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510    2.2268   -1.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729    0.4803   -1.9471 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