Monomers
N-Phenylmethacrylamide
Identifiers
IUPAC name
2-methyl-N-phenylprop-2-enamide
InchI
InChI=1S/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
InchI Key
IJSVVICYGLOZHA-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccccc1
Canonical SMILES
CC(=C)C(=O)NC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)NC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H11NO
Heavy Atom Count
12
Molecular Weight
161.204
Exact Molecular Weight
161.0841
Valence Electrons
62
Radical Electrons
0
tPSA
29.1
MolLogP
2.2012
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
23 23 0 0 0 0 0 0 0 0999 V2000
-1.0545 -0.9413 1.3066 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2625 -0.2263 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 0.0526 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9985 0.7860 -1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7298 -0.5497 0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1839 0.2922 -0.4163 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1637 0.0917 -0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0890 0.8768 -0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4432 0.7677 -0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9322 -0.1461 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 -0.8925 0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6541 -0.8105 0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0662 0.9360 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3337 1.2820 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4117 -1.6105 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7195 -0.4887 0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7694 0.0390 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4611 0.8933 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 1.6014 -1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1617 1.3622 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0038 -0.2490 0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4066 -1.6171 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0276 -1.4492 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
5 17 1 0
6 18 1 0
8 19 1 0
9 20 1 0
10 21 1 0
11 22 1 0
12 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers