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
    3.2759   -0.2290   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3445    0.6249    0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9611    0.3589    0.0663 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6978   -0.8775   -0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541   -1.1146   -0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6359   -0.9943    0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1603    0.3714    0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3683    1.4877    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477    1.3316    0.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498    2.1446    1.3660 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946   -0.0183    0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870   -1.1358   -0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6460    1.5309    0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005   -1.7650   -0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233   -0.8432   -1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8311   -2.1899   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0996   -0.5192   -1.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5061   -1.6739    0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681   -1.4218    1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2153    0.4747    0.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2275    0.5030    1.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    2.4400    0.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169    1.5148   -1.0930 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