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
    3.2612   -0.2022   -0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.5909    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847    0.2160    0.2628 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763   -1.1086   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718   -1.4511   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783   -0.5270   -0.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650    0.6352   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    1.2921    0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804    1.1429    0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7025    2.0682    1.4551 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    0.1139   -0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400   -1.1854   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201    1.5769    0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873   -1.8768    0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680   -1.1918   -1.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860   -1.3588    1.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051   -2.5095   -0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4305   -1.1347   -1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141   -0.1570   -1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367    0.2946    0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5048    1.3687   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5797    2.4016    0.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.0019    1.9062 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