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
    3.3185   -0.1243   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644   -0.8726   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9484   -0.3847   -0.0015 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    1.0196    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6038    1.5226   -0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995    1.0169    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2240   -0.3675   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559   -1.4343    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367   -1.4004   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886   -2.4026   -0.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3094    0.9400   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071   -0.5661   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217   -1.9505   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266    1.3089    1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    1.5656   -0.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823    2.6266   -0.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6706    1.2962   -1.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6885    1.0332    1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521    1.6885    0.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705   -0.5866    0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355   -0.4002   -1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2304   -1.0961    1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8357   -2.4323    0.5848 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