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
    2.8573   -1.5985   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665   -0.3918   -0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -0.1009   -0.2640 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -1.2392    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788   -1.0634    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710    0.1086    0.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598    1.2811   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619    1.9985   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5921    1.2163   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4048    1.8810   -1.2357 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2613   -2.4640    0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188   -1.7656   -0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529    0.4012   -0.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4360   -2.0467   -0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394   -1.6373    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.0493   -0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343   -1.9787    0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817   -0.1046    1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938    0.3620    1.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6753    1.9298    0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1268    0.9718   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640    2.3302    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790    2.9595   -0.6529 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