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
   -3.4745    0.2478   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682    0.9276   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0832    0.4122   -0.1641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089   -1.0776   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630   -1.3181    0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416   -1.3509    0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3181    0.1473    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    1.0413   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0811    1.2706   -0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3206    2.4955   -0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854   -0.8429   -0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4419    0.6936   -0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4426    2.0210   -0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332   -1.4547    0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218   -1.5644   -0.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968   -0.7570   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3427   -0.6256    1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   -1.8251    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785   -1.9146   -0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435    0.4775    1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3288    0.1473    0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0126    2.0490   -0.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8217    0.8005   -1.4141 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