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
    3.3754    0.4649    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2214    1.0777    0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444    0.5077    0.0421 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8232   -0.8828   -0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -1.5504    0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6776   -1.2269   -0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2884    0.0577    0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692    1.2749   -0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938    1.3769    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    2.3615    0.9940 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    1.0036    0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5142   -0.5728   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2497    2.1268    0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7144   -1.4168   -0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7630   -0.9999   -1.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643   -1.2890    1.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2049   -2.6555    0.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5703   -1.1936   -1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3995   -2.0401   -0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3372    0.0212    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3292    0.1062   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    1.2888   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1393    2.1599    0.0021 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