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
-0.7882 1.7576 -0.5092 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2084 0.5696 -0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6394 0.2956 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1764 -0.8913 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6090 1.4313 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2739 -0.4378 -0.1761 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1379 -0.3361 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8852 -1.4597 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2595 -1.4595 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9753 -0.3279 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2844 0.7874 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8821 0.7714 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5431 -1.7509 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2666 -0.9951 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1542 2.2704 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0100 1.7633 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4643 1.0568 -1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6640 -1.4303 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 -2.3785 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8188 -2.3357 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0564 -0.2899 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7958 1.7171 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3609 1.6723 -0.7477 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