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
    3.2824   -0.1312   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    0.7354   -0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    0.3484   -0.1582 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7164   -1.0684   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6747   -1.5395   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7457   -0.8187    0.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1903    0.4330   -0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696    1.5585    0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    1.4240   -0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4561    2.4268   -0.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777   -1.1989   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2924    0.2252   -0.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326    1.7746   -0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531   -1.5585   -0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200   -1.4165    0.9387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -2.6126    0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9141   -1.5251   -1.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3884   -0.5810    1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467   -1.4767    0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0728    0.2717   -1.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    0.6588   -0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928    2.5475   -0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3747    1.5232    1.3656 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