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
    2.7815   -1.2735   -2.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7824   -0.7958   -1.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769   -0.3150   -0.6308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367   -1.1783   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -0.8323    1.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968    0.1650    1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6182    1.2900    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313    1.8778    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771    1.1031   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    1.6837   -0.7492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660   -2.2252   -2.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5317   -0.4921   -2.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771   -2.0438   -1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535   -2.2140   -0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2014   -0.8696   -0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -1.7466    1.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081   -0.3953    1.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7538    0.5562    2.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7473   -0.3579    1.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971    0.9969   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232    2.1077    0.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2819    2.8895   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0742    2.0698    1.4876 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