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
    3.1886   -0.4300   -0.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989    0.4070   -0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.1272    0.0965 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -1.1207   -0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399   -1.3722    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7694   -0.4517   -0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1376    0.7825    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310    1.4142    0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729    1.1181    0.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0421    1.9630    1.3363 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -0.2206   -0.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.3841   -1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8063    1.3311    0.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1912   -1.9796   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4771   -1.0063   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869   -2.4418   -0.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940   -1.2696    1.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7025   -1.0406   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3573   -0.2035   -1.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0498    0.5651    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887    1.5087   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504    1.1843    2.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413    2.5197    0.9178 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