Monomers
3'-Hydroxy-2-methylacrylanilide
Identifiers
IUPAC name
N-(3-hydroxyphenyl)-2-methylprop-2-enamide
InchI
InChI=1S/C10H11NO2/c1-7(2)10(13)11-8-4-3-5-9(12)6-8/h3-6,12H,1H2,2H3,(H,11,13)
InchI Key
VAVZHSBOROHMQD-UHFFFAOYSA-N
SMILES
Oc1cccc(c1)NC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)NC1=CC(=CC=C1)O
Isomeric SMILES
CC(=C)C(=O)NC1=CC(=CC=C1)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H11NO2
Heavy Atom Count
13
Molecular Weight
177.203
Exact Molecular Weight
177.079
Valence Electrons
68
Radical Electrons
0
tPSA
49.33
MolLogP
1.9068
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
24 24 0 0 0 0 0 0 0 0999 V2000
3.7210 0.8830 1.7581 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9779 0.0640 0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5663 -0.9929 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8120 -1.7749 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4828 -1.5151 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8486 -0.4493 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6338 0.3077 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5113 -0.2046 -0.4001 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3479 0.6355 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9273 1.2459 1.3407 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7385 0.7839 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5471 1.5675 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2546 0.0515 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1637 1.6878 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6271 -1.2083 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2748 -2.6229 -1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8655 -2.1308 -1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2342 1.1714 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9231 -0.7190 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5654 1.6580 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2342 2.1239 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7435 0.3550 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3586 0.1363 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0563 -1.0538 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 3
11 13 1 0
7 2 1 0
1 14 1 0
3 15 1 0
4 16 1 0
5 17 1 0
7 18 1 0
8 19 1 0
12 20 1 0
12 21 1 0
13 22 1 0
13 23 1 0
13 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers