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
    3.1295    0.2250    0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591    1.0386    0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9215    0.4828    0.0083 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924   -0.9613   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.4021   -0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7183   -1.1333    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956    0.2767    0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4896    1.2173   -0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0546    1.4512   -0.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3367    2.6244   -0.4197 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9892   -0.8314    0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0777    0.6078    1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996    2.1267    0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233   -1.3266   -0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758   -1.4347    0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4052   -2.5263   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4767   -1.0226   -1.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367   -1.7731    1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -1.4996   -0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1078    0.4037    0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5485    0.5418    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6468    0.7440   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600    2.1710   -0.6279 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