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
    3.2829    0.1429   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795   -0.6867    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380   -0.3042    0.0181 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406    1.0255   -0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182    1.4242   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920    0.7771    0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -0.3969    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3705   -1.5118   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0210   -1.3044    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488   -2.1036    1.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    1.1179   -0.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987   -0.1252    0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111   -1.6851    0.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2328    1.7361    0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1924    1.1857   -1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1585    1.1509   -1.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8115    2.5239   -0.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    0.4850    1.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1781    1.5059    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9504   -0.1040   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9951   -0.7425    0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716   -2.4591    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240   -1.6516   -1.3215 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