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
    3.4926   -0.4826   -0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2696   -0.3071   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232   -0.1139   -0.5683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -1.1315   -0.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -1.2778    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1206   -0.2633   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153    0.9933    0.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553    1.8595    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193    1.2336   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4925    2.0250   -0.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0802   -1.4071   -0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269    0.3473   -0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -1.7018   -0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450   -2.1046   -1.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5185   -0.8852   -1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4383   -2.3312    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030   -1.0626    1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3040   -0.1584   -1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0664   -0.6793    0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7481    1.6032    0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907    0.7259    1.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163    2.6520    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0866    2.4666   -0.7958 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