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
-0.8540 1.5913 -1.2852 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2627 0.6111 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6823 0.3273 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5528 1.1277 -1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1041 -0.8349 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3395 -0.2441 0.0083 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 -0.1399 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7170 1.0041 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1208 1.0354 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8796 -0.0596 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2347 -1.2142 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8673 -1.2305 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6358 0.9609 -0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2760 1.9858 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 -1.7487 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5747 -0.8054 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1813 -0.9391 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6978 -1.0835 0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1927 1.9015 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5919 1.9574 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9569 0.0215 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8371 -2.0905 0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3509 -2.1334 0.6396 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