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
    2.9565    0.1543   -1.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909    0.9191   -0.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550    0.3975   -0.1924 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -1.0371   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696   -1.5107    0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5933   -0.8446   -0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    0.2763    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753    1.2381    0.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895    1.2906    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6489    2.4248    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    0.6018   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7658   -0.9036   -1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    1.9914   -0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7926   -1.3892   -1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696   -1.5712    0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614   -1.2357    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5025   -2.6193    0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3533   -1.6359   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.4678   -1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8795    0.8317   -0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002   -0.1577    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133    0.9902    2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176    2.2569    0.9371 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