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
    3.1840   -0.4082   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672    0.3983   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9676    0.1914    0.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215   -1.0057   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879   -1.4032   -0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124   -0.3282   -0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123    0.4433    0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177    1.6517    0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    1.1796    0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    1.7462    1.6863 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2434   -0.2309   -0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7942   -1.2751   -1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    1.2615    0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1447   -1.8347   -0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223   -0.9261   -1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -2.0027    0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438   -2.1472   -1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6632    0.3573   -1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051   -0.7846   -0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6049   -0.1810    1.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305    0.8013    1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216    2.0997   -0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3498    2.3973    1.4589 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