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
   -1.8942   -1.9541    0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4365   -0.5928    0.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3014   -0.1119    0.2417 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0336   -0.3591    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260   -1.0363    1.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757    0.1332   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106   -0.1337    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337    0.6470   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120    2.1334   -0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9891   -1.9690   -0.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3109   -2.7747    0.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9421   -2.0805    0.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2332   -0.5628    2.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2695    0.1181    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0429    0.7265   -1.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5353   -0.7123    1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2879    0.2180   -0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2044    0.4598   -1.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192    0.4008   -1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755    2.5813   -0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3587    2.6495   -1.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8913    2.2196    0.4397 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