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
    3.2148   -0.3513   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    0.5636   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9783    0.3370   -0.1639 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7482   -0.9859    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5571   -0.9723    1.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7549   -0.9990    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1754    0.2963   -0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3811    1.4888    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479    1.4041   -0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    2.4973   -0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2104   -0.1294   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983   -1.3483   -0.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4882    1.5477   -1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960   -1.2792    1.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6630   -1.6856   -0.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889   -0.1203    1.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694   -1.9237    1.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5516   -1.7323   -0.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5956   -1.4387    0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2387    0.5112   -0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1326    0.2630   -1.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980    1.6953    1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882    2.3617   -0.4623 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