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
    3.5166    0.4335    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4121   -0.4061    0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2631    0.1953   -0.1965 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422   -1.0541    0.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257   -0.7917    0.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8255   -0.8417   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615    0.5964   -0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357    1.4418   -0.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909    0.7566   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4076    0.4731   -2.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865    0.0854    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311    1.4206   -0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6259   -1.3500    0.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392   -1.8908    0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -0.7371    1.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1784    0.1204    1.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3618   -1.6541    1.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3304   -1.2591   -1.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7419   -1.4128   -0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109    0.6512   -1.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7228    0.9709    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487    1.9157   -1.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850    2.3367   -0.0435 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