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
    3.3549   -0.1108   -0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820   -0.8687   -0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546   -0.4408   -0.2478 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040    0.9674   -0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2957    1.2320    0.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035    1.1594    0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1677   -0.0766   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5057   -1.3503    0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782   -1.4345   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825   -2.5953   -0.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    0.9551   -0.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3354   -0.5840   -0.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320   -1.9566   -0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.6041   -0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0080    1.1124   -1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390    0.5678    1.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0688    2.2811    1.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3549    1.4103    1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774    2.0342   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2616   -0.1958   -0.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0584    0.0230   -1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0091   -2.1741   -0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504   -1.5594    1.2349 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