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
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
0.5642 2.2770 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0521 1.1610 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3373 0.0306 0.0812 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6158 -0.9484 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -1.9270 1.0901 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9884 -0.9008 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.8427 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7064 -0.0367 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 -0.7727 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1011 3.1510 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5560 1.9845 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6000 2.5712 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7784 0.8740 -1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8810 1.4842 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3390 -0.0813 -0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5510 -2.6897 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8849 -1.8319 -0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7497 -0.5686 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1250 0.9617 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5822 -0.9151 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7937 -0.2053 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1682 -1.7752 -0.6733 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