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
   -1.8815   -1.9474   -0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169   -0.6269   -0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881   -0.1036   -0.1916 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186   -0.4240   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928   -1.1796   -1.5479 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1920    0.0762    0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4059   -0.2473   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5711    0.7679    0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6420    2.2199    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384   -2.6545   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3178   -1.7229    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6794   -2.3307   -1.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1939   -0.7264   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2915    0.0806   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    0.7288    1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5098   -0.8999   -1.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2959    0.0936    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5700    0.5266    1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1767    0.6026    1.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323    2.6785    0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033    2.3218   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4254    2.7667    1.0940 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