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
    2.8738   -1.4860    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -0.4397   -0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624   -0.1912   -0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2088   -1.1582    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2530   -1.0079    0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5967    0.4138    0.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9194    1.1511   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6814    1.7672   -0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.9454   -0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144    1.3229   -1.8854 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9496   -1.6309    0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -2.1901    0.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9990    0.2651   -0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5968   -1.1964    1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4317   -2.1743    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340   -1.2566   -0.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6628   -1.7237    1.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7199    0.8751    1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.4089    1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6359    1.9493   -0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.4636   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825    2.6895   -0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9026    2.2032   -1.8801 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