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
-1.5746 -1.7192 -1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3742 -0.2843 -1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2078 -0.0579 -0.2842 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0133 0.1734 -0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 0.1017 -2.2253 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3113 0.4916 -0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7051 0.6737 0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4360 -0.1490 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7114 1.2035 1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 -1.9598 -2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2414 -2.4045 -0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6560 -1.8676 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 0.1617 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 0.3397 -2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1374 0.6027 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7612 0.9106 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0853 0.6263 1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3746 -0.7767 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3490 -0.7215 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5554 1.9958 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0147 1.3737 2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7329 1.2864 2.1570 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