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
    3.1259    0.6715    1.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298    0.3401    0.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290   -0.0549    0.1351 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816    0.2720   -1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6682    0.9215   -1.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052   -0.0531   -1.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367   -0.3244    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.3820    0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169   -0.8253    1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5968   -1.0113    2.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425    0.3819    2.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9920    1.2821    1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483    1.0131   -0.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4412    0.9654   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726   -0.6518   -1.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556    1.3364   -2.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005    1.7154   -0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6990    0.4422   -1.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.9944   -1.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0424    0.6054    0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1818   -0.6766    0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6719   -1.7228    1.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450   -2.2504    0.0752 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