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
    3.2413   -0.0786    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435   -0.7357   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990   -0.2790   -0.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321    0.9119    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6815    1.3922    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7114    0.5003    0.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422   -0.6338    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569   -0.7662   -1.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664   -1.0364   -1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5804   -2.0485   -1.5617 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.4366    0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9813    0.8090    1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813   -1.6410   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270    0.7771    1.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981    1.7125    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867    1.6252   -0.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446    2.3853    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3594    0.1625    1.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305    1.1280    1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243   -0.5733   -0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491   -1.5819    0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854   -1.6692   -1.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5360    0.0762   -1.9219 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