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
    2.9455    1.2600   -0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    0.4965    0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    0.0229   -0.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369    0.4268   -1.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084   -0.3671   -1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0395    0.0483   -0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7592    0.0333    0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8872   -1.1322    1.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -0.7864    1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -1.2868    1.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586    1.5965   -0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    1.5564   -1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    0.2118    1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    0.1755   -2.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1881    1.5178   -1.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6519   -1.4397   -1.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565   -0.3393   -2.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518    1.0929   -0.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -0.5945   -0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629    1.0019    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449   -0.0926    1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1937   -2.0059    0.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9726   -1.3959    2.4197 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