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
-0.9486 -1.4111 -0.6969 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2326 -0.3751 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6667 -0.1337 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0824 0.9202 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6565 -1.0979 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2270 0.4739 0.3979 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1581 0.2627 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7581 -0.8943 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 -1.0436 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9276 0.0362 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 1.2382 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0485 1.3378 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4353 1.6898 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1674 1.0446 0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0739 -0.6310 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4942 -1.2235 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2375 -2.0804 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5071 1.3533 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1320 -1.7815 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5005 -2.0053 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9994 -0.0678 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0659 2.0943 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6231 2.2941 0.7653 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