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
    3.2080    0.0012    0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    0.8515    0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    0.4353    0.0101 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8423   -0.9147   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315   -1.2063   -1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006   -1.1682    0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2144    0.1133    0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5412    1.3660   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0836    1.4127    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739    2.5953    0.0367 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1726    0.3422    0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368   -1.0070    0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3256    1.8646    0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841   -1.6343    0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512   -1.1582   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670   -0.3565   -1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278   -2.1568   -1.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2546   -1.9888   -0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747   -1.4888    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1884    0.0594   -0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023    0.1283    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8580    1.7399   -1.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8889    2.1699    0.6871 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