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
    2.7302   -0.3211   -2.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046   -0.1589   -1.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311    0.0519   -0.3382 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -0.6736    0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011   -1.1124    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5441   -0.0073    1.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1025    0.2945    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3463    1.4555   -0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    1.0165   -0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    1.5783   -2.0159 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425   -0.9408   -2.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7346    0.3596   -3.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6136   -0.8682   -0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3761   -0.2088    1.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330   -1.6216    0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3060   -1.3462    2.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8956   -2.0113    0.9387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3653   -0.4058    2.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560    0.8066    2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1916    0.4724    0.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295   -0.5668   -0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9707    2.0487   -1.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    2.1588    0.4528 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