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
    3.1352   -0.0324   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186    0.8056   -0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8237    0.3425   -0.4556 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7522   -1.0155   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -1.5527    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168   -0.6715    1.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1865    0.2102    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206    1.4950    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    1.3512   -0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217    2.2659   -1.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1322    0.3507   -1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459   -1.0494   -0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2872    1.8433   -1.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -1.6832   -0.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4572   -1.1549    0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1344   -1.8304   -0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475   -2.5279    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8232   -0.0830    1.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -1.2877    1.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    0.3323    0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882   -0.2185   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302    1.7824    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0427    2.3280   -0.2251 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