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
    3.2901    0.0195    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659    0.8244   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    0.3376   -0.2560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497   -1.0796   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999   -1.4726   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4322   -0.6729    0.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255    0.4498    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557    1.1746   -0.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0378    1.3396   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3504    2.5383   -0.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009   -1.0619    0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845    0.4038    0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    1.8850   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1715   -1.6173   -1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616   -1.4732    0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2472   -1.3288   -1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188   -2.5474    0.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7562   -0.3188    1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681   -1.3434    1.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1744    0.0275   -0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477    1.1798    1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.1524   -0.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    0.5835   -1.6991 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