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
    2.9836   -0.9830   -0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    0.0739   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072    0.2546    0.0751 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632   -0.7755    0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873   -1.4077    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007   -0.5299    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002    0.6537   -0.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070    1.8305   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391    1.4872   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0449    2.4089   -0.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280   -1.8476    0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9611   -1.0420   -0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6683    0.8804   -1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1476   -1.5060    1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0065   -0.2675    1.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204   -2.4143    0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588   -1.4077   -0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812   -0.2075    1.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8061   -1.1518    0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9545    0.9827   -0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4406    0.3681   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3556    2.7597   -0.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829    1.8407    1.0975 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