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
    2.8331   -1.2843    1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0547   -0.2369    1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9805    0.0711    0.3378 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582   -0.8365   -0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561   -0.5292   -1.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7275   -0.6057   -0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222    0.6845    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510    1.7297    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436    1.2368    0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8189    1.9626    1.5189 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320   -1.4564    1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7139   -1.9964    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2406    0.4352    2.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637   -0.6503   -1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -1.8693   -0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6973   -1.2245   -2.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5006    0.4965   -1.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590   -1.3422    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5861   -1.0240   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236    0.5725    1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9667    1.1174   -0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    2.5314    0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9168    2.2179   -0.8654 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