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
-2.1898 -0.2032 -1.4678 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0992 -0.2268 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7734 -0.6455 0.3467 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3514 0.1212 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1318 1.1398 -0.7563 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7229 -0.2638 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 0.4895 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1106 0.7082 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3139 0.8199 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8803 -0.9083 0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6743 -1.4921 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9095 -1.1369 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5158 1.3528 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7082 0.2451 0.1896 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