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
-0.9304 -1.6537 0.9301 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2506 -0.5628 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6713 -0.2219 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5616 -1.0483 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1001 1.0351 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3013 0.3479 -0.1417 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0842 0.1226 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7441 -0.8267 0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1308 -0.9814 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8917 -0.1714 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2588 0.7940 -0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9015 0.9373 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6191 -0.8519 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2846 -2.0031 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9543 1.0468 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1590 1.2680 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5176 1.9201 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6759 1.2412 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1867 -1.4922 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5752 -1.7541 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9823 -0.2777 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8605 1.4358 -1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4100 1.6968 -1.4983 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