Monomers

N,N-Diethylacrylamide

Identifiers

IUPAC name
N,N-diethylprop-2-enamide
InchI
InChI=1S/C7H13NO/c1-4-7(9)8(5-2)6-3/h4H,1,5-6H2,2-3H3
InchI Key
OVHHHVAVHBHXAK-UHFFFAOYSA-N
SMILES
CCN(C(=O)C=C)CC
Canonical SMILES
CCN(CC)C(=O)C=C
Isomeric SMILES
CCN(CC)C(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NO
Heavy Atom Count
9
Molecular Weight
127.187
Exact Molecular Weight
127.0997
Valence Electrons
52
Radical Electrons
0
tPSA
20.31
MolLogP
1.0408
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 22 21  0  0  0  0  0  0  0  0999 V2000
   -0.3002   -1.8589    0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.5076    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872    0.5855    0.2692 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.0269   -0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    2.1132   -1.2354 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2575    0.5192   -0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -0.5303   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976    1.2625    0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    0.6551   -0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3989   -1.9832    0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -2.6241    1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1901   -1.9255   -0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.3844    2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9532   -0.5902    1.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    1.1377   -1.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025   -1.2442    0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -0.7280   -0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501    1.1915    1.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770    2.3348   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1148    1.3908   -0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    0.3934   -1.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8472   -0.2343   -0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  3  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers