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
    3.1568   -0.4273    0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3144    0.5078    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9175    0.2797   -0.0805 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511   -1.0690    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8060   -1.5366    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9134   -0.6438   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023    0.7304    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2203    1.6061   -0.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2216    1.4056   -0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100    2.3968   -0.8661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9053   -1.4299    0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060   -0.1646    0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038    1.4830   -0.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485   -1.7133   -0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -1.2173    1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1033   -2.0538    1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8674   -2.4047   -0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820   -0.5965   -1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809   -1.1296    0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9622    1.1022    0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334    0.8560    1.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    1.3372   -1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5160    2.6818   -0.5570 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