Monomers
N-(Hydroxymethyl)acrylamide
Identifiers
IUPAC name
N-(hydroxymethyl)prop-2-enamide
InchI
InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)
InchI Key
CNCOEDDPFOAUMB-UHFFFAOYSA-N
SMILES
OCNC(=O)C=C
Canonical SMILES
C=CC(=O)NCO
Isomeric SMILES
C=CC(=O)NCO
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H7NO2
Heavy Atom Count
7
Molecular Weight
101.105
Exact Molecular Weight
101.0477
Valence Electrons
40
Radical Electrons
0
tPSA
49.33
MolLogP
-0.7616
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
14 13 0 0 0 0 0 0 0 0999 V2000
0.4168 2.0257 -1.5762 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0508 0.7682 -1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2288 -0.2695 -1.0953 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1023 -0.1440 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3373 0.8555 0.9397 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9236 -1.1613 0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2275 -1.0505 2.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0857 2.7339 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0404 0.7980 -1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2389 0.5419 -2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1300 -1.0910 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2916 -2.0038 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8813 -0.2108 2.8175 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8423 -1.7923 2.7149 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
1 8 1 0
2 9 1 0
2 10 1 0
3 11 1 0
6 12 1 0
7 13 1 0
7 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers