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
    3.0311    0.3390   -1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0505    0.9701   -0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9528    0.4313    0.0807 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8408   -0.9922    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -1.3663   -0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6371   -1.1625    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262    0.2373    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    1.1350    1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236    1.3584    0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4837    2.5153    0.7567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311    0.8988   -1.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1009   -0.7263   -1.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1158    2.0752   -0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239   -1.5737   -0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5331   -1.3073    1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2488   -2.4625   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966   -0.8258   -1.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -1.7877   -0.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038   -1.5349    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1813    0.7154   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792    0.2159    0.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725    0.7306    2.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8922    2.1170    1.0318 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