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
    3.5063   -0.4740   -0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509   -0.2405   -0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0181    0.0291   -0.0155 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269    1.2151   -0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533    1.5646    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008    0.8088    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -0.5589   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1053   -1.5041    0.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2964   -1.1051    0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928   -1.8238    1.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485   -0.6728   -0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3993   -1.7441    0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    1.0625   -0.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0988    1.0358   -1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0028    2.1016   -0.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697    2.6579    0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6189    1.3068    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688    1.4019   -0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7914    0.8461    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4154   -0.5752   -1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8923   -1.0412   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5969   -1.8347    1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0335   -2.4558   -0.2495 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