Monomers
N-Methylacrylamide
Identifiers
IUPAC name
N-methylprop-2-enamide
InchI
InChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)
InchI Key
YPHQUSNPXDGUHL-UHFFFAOYSA-N
SMILES
CNC(=O)C=C
Canonical SMILES
CNC(=O)C=C
Isomeric SMILES
CNC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H7NO
Heavy Atom Count
6
Molecular Weight
85.106
Exact Molecular Weight
85.0528
Valence Electrons
34
Radical Electrons
0
tPSA
29.1
MolLogP
-0.0816
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
13 12 0 0 0 0 0 0 0 0999 V2000
2.1071 0.0331 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 0.3189 0.1482 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2053 -0.7496 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 -1.9231 0.2598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6328 -0.5420 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1350 0.6637 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4649 0.7233 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 -1.0305 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6879 0.2880 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 1.3153 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2935 -1.4109 0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5110 1.5151 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1889 0.7987 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
5 11 1 0
6 12 1 0
6 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers