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
    2.9861   -1.7617   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658   -1.1600   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6727   -0.5193    0.0266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697   -1.3407    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136   -0.6638    0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056    0.6531    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5262    1.9877    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1232    1.9664   -0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7645    0.9079   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    1.3340   -0.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239   -2.7653    0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655   -1.1527   -0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3094   -2.3569    0.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -1.9440   -0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1514   -2.0869    1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899   -0.8262    2.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -1.2751    0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389    0.7726    1.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4952    0.3031   -0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2503    2.3473   -0.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312    2.7879    0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3065    2.9490   -0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3131    1.8435   -1.7961 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