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
    3.1988   -0.0805    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423    0.6982   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    0.2946   -0.2605 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6626   -1.0147    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -1.4178   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7857   -0.6831    0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9626    0.7375    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3479    1.1264   -0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1284    1.1700   -0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7227    2.0883   -1.5882 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    0.2114    0.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8482   -1.0374    0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7177    1.6658   -0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7722   -1.0666    1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3490   -1.7386   -0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446   -2.5054    0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840   -1.3476   -1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5603   -0.8412    1.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7577   -1.2252    0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5626    1.3823    1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0540    1.0221    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7331    2.1406   -1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7299    0.4210   -1.7625 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