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
    3.3064    0.5378    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057   -0.4197   -0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110   -0.1864   -0.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462    1.1552    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643    1.3897   -0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8997    0.5754    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.7727   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -1.7207    0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2228   -1.3583   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -2.2312   -0.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654    1.5797    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    0.3251   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -1.4289   -0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1643    1.8841   -0.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5780    1.4773    1.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386    1.2723   -1.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0871    2.4638   -0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745    1.1311    0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6595    0.5175    1.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673   -0.6944   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417   -1.1127    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371   -2.7686    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460   -1.6152    1.4376 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