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
    3.1065   -0.4036    0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9409   -0.3329    1.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7943    0.0102    0.6399 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0756    0.2679   -0.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1499    0.7498   -1.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948   -0.2153   -1.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2674    0.1759   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7898   -0.3830    0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4391    0.0558    1.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353    0.5748    2.5186 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2936   -0.2242   -0.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722   -0.6720    1.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774   -0.5395    2.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033    1.0118   -0.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -0.6961   -1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835    1.7099   -1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658    1.0155   -2.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8626   -0.1971   -2.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9149   -1.2365   -1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3218    1.2630   -0.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542   -0.3044   -0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028   -0.1270    1.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -1.5030    0.8755 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