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
-2.5818 0.2386 -0.4647 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7962 -0.6901 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4096 -0.5664 -0.1698 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3051 0.6434 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3164 1.6368 0.5354 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6855 0.8403 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3707 -0.1343 -0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7759 1.0456 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9353 -0.6164 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1797 -1.6891 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0739 -1.3736 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1814 1.7838 -0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4207 -0.0095 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9575 -1.1091 -1.1041 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