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
    3.1678   -0.3650   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1726    0.4359   -0.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9597    0.4444   -0.1496 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.5054    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279   -1.4683    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6498   -0.8619    0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520    0.1644   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4252    1.4724   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0252    1.4143   -0.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    2.2909   -1.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0749   -0.2441   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703   -1.1317    0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2755    1.1861   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015    0.0720    1.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297   -1.0071    1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2136   -2.4752    0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2607   -1.5375   -0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -1.7014    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.4761    1.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2098    0.3803    0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -0.2303   -1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148    2.0068    0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511    2.1365   -0.9226 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