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
    1.7225    2.6997   -0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.0049   -0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3718    0.6841   -0.3494 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985    0.2971    0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6668   -1.0259    1.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4388   -1.4273    0.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5490   -1.9130    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7562   -0.8104   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6404    0.1138   -1.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5299    0.5511   -2.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2091    2.3181    0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9948    3.6601   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3458    2.4457   -1.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8687    1.0948    1.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1742    0.2999    0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5259   -0.8587    2.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5787   -1.7044    1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -0.4597    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -1.4691   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5279   -1.9879    0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706   -2.9220   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9485   -1.3590   -1.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6811   -0.2320   -0.8183 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