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
    3.3303   -0.5045   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027    0.3121   -0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    0.1795   -0.1851 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320   -0.9370    0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271   -0.7609    1.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8584   -0.7745    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095    0.6797   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762    1.1195   -1.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1465    1.1659   -0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7458    2.2879   -0.8907 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676   -1.3356    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505   -0.3475   -0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7070    1.1518   -1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3453   -0.9942    1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6751   -1.8388    0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7796    0.1946    1.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8807   -1.6129    1.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7492   -1.2701    0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6181   -1.2839   -0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0883    1.3119    0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2258    0.6891   -0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4356    0.4381   -2.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5647    2.1298   -1.5078 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