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
-1.1386 -1.5029 1.0288 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 -0.5523 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6833 -0.3154 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6464 -1.1045 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8833 0.8147 -1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2361 0.2693 -0.1313 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 0.1284 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9646 1.1984 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2769 1.1525 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7561 0.0307 0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9417 -1.0309 1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 -0.9669 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4578 -1.9133 0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6415 -0.9364 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9611 1.0325 -1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3944 1.7225 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4745 0.5817 -2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4572 1.0689 -0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5761 2.0847 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9507 1.9895 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8094 0.0015 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3093 -1.9316 1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9981 -1.8209 1.1537 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