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
    3.3078   -0.3286   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730    0.5813    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892    0.2907    0.0807 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752   -1.1150   -0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7355   -1.4431    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -0.7710   -0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    0.5031    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3047    1.5977   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988    1.3776    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509    2.3231    0.9245 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    0.0090   -0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1323   -1.3864   -0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499    1.6374    0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7514   -1.3658   -1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3396   -1.7451    0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -2.5350    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8990   -1.1262    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -0.4933   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381   -1.4300   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2737    0.3722    1.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.7867   -0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6278    2.5863    0.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3820    1.6744   -1.2850 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