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
2.1301 0.1818 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7078 -0.0747 -0.3632 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1454 0.2876 0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3620 0.8424 1.7476 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 0.0551 0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1905 -0.5030 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6971 -0.5793 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2872 1.1854 -0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4544 0.2446 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3481 -0.5256 -1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1813 0.3573 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6362 -0.8127 -1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2506 -0.6590 -0.3082 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