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
    3.2504    0.3763    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519    1.0863    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8674    0.5664   -0.1377 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8863   -0.7759   -0.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5188   -1.3468   -0.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2561   -1.2487    0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1643   -0.0930    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6997    1.2006    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594    1.4127    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885    2.6129    0.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116    0.8012    0.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814   -0.6442   -0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923    2.1035    0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754   -1.4578    0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -0.8963   -1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0519   -0.8444   -1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -2.4074   -1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853   -2.1805    0.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5476   -1.2841    1.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -0.0004    1.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347   -0.3507    0.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1720    2.0093    0.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0946    1.3610   -0.9741 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