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
    3.1300   -0.8354    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -0.0819   -0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9693    0.0541   -0.1050 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4478   -0.6970    0.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0059   -0.6535    1.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -0.6580   -0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1272    0.8009   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0385    1.4781   -1.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938    0.9019   -1.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353    1.2496   -1.9894 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -0.9241    0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756   -1.3810    1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8986    0.4564   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0058   -0.3980    1.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368   -1.7751    0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3156   -1.5934    1.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3553    0.1727    1.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933   -0.9804   -0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607   -1.3406   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387    0.7652   -0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2921    1.3067    0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9814    2.5507   -0.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367    1.5822   -2.1728 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