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
    3.3434   -0.8414    0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -0.5141    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186   -0.1363    0.1979 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2587    0.9516    0.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8282    1.5707    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609    0.7886   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9179   -0.6944   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -1.0725   -1.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752   -1.0179   -0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1744   -1.8268   -1.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226   -1.7547    0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1168   -0.4635    1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049    0.5584    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1235    0.7109    1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0302    1.7509    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071    2.5399    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455    1.9096   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7803    1.0484    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5939    1.1344   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4451   -1.0548    0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8817   -1.1982   -0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2918   -2.0621   -1.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0971   -0.3268   -2.1819 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