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
    3.2330    0.1396    0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3609   -0.6027    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0068   -0.2115   -0.0667 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146    1.0466    0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7086    1.4460   -0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7564    0.5811    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1899   -0.5743   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2242   -1.2963   -1.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2096   -1.1044   -0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8962   -1.9861   -1.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9763    1.0775    1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2512   -0.1976    0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6837   -1.5401   -0.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.8413    0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5165    0.9759    1.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684    2.5170    0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696    1.3244   -1.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155    0.2903    1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6360    1.2359    0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260   -1.2764    0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0380   -0.2161   -0.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140   -2.4000   -0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646   -1.0701   -2.1255 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