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
    3.1668   -0.7040   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509    0.1566    0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670    0.0835    0.2803 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -0.9863   -0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797   -1.2238   -0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -0.0373   -0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0932    0.5361    0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0978    1.6413    0.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    1.0852    0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    1.5676    1.9513 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195   -1.4762   -0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2510   -0.6691    0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516    0.9269    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -0.9261   -1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9669   -1.9328   -0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079   -1.9022    0.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9981   -1.8220   -1.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7200   -0.3356   -1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3146    0.7324   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0364   -0.2339    1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1239    0.9600    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4917    2.2711    1.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1385    2.2885   -0.2196 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