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
    2.9955    0.9979   -0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490   -0.0256   -0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0153   -0.2773   -0.0408 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5349    0.6494    0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6827    1.3845    0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8886    0.4482    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -0.5686   -0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974   -1.8038   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3001   -1.4539   -0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.2458   -1.1354 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7842    1.7667    0.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656    1.1334   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877   -0.7389   -1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2854    1.2868    1.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079    0.0013    1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853    1.6914   -0.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.2534    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587   -0.0186    1.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7829    1.1200    0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -0.1103   -1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383   -0.8480   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4649   -2.6662   -0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901   -1.9760    0.9224 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