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
    3.0880    0.9607   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -0.0326   -0.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0211   -0.1727   -0.1725 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076    0.8217    0.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7653    0.6652    1.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    0.7471    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442   -0.6702   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1675   -1.4697   -0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2443   -1.2666   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9752   -2.2840   -0.9101 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7079    1.6730    0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0964    1.0779   -0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7518   -0.7514   -1.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    1.8520    0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163    0.7880    1.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652    1.5147    1.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219   -0.2542    1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2514    1.1758   -0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5829    1.3466    0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749   -1.1432    0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1058   -0.6368   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382   -1.3839   -2.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3957   -2.5575   -0.6859 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