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
    3.1812   -0.5604   -0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488    0.3304   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568    0.3535    0.1364 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -0.6419    1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -1.5551    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6542   -0.7969   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0046    0.4750    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    1.6990   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200    1.4430   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065    2.2959   -0.9704 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377   -0.5081   -0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0024   -1.3652    0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5184    1.1174   -1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3275   -1.2581    1.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0691   -0.1120    1.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331   -2.1494    1.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1233   -2.2600   -0.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4926   -0.6226   -1.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -1.4774   -0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1081    0.6567    0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8734    0.4308    1.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4493    2.5226    0.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7687    1.9827   -1.0058 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