Monomers
2-Methyl-N-(4-nitrophenyl)prop-2-enamide
Identifiers
IUPAC name
2-methyl-N-(4-nitrophenyl)prop-2-enamide
InchI
InChI=1S/C10H10N2O3/c1-7(2)10(13)11-8-3-5-9(6-4-8)12(14)15/h3-6H,1H2,2H3,(H,11,13)
InchI Key
DPNRVEROTZRVQP-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10N2O3
Heavy Atom Count
15
Molecular Weight
206.201
Exact Molecular Weight
206.0691
Valence Electrons
78
Radical Electrons
0
tPSA
72.24
MolLogP
2.1094
H Bond Acceptors
3
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
25 25 0 0 0 0 0 0 0 0999 V2000
-1.3822 1.6630 0.4719 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 0.4529 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1123 0.1286 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5702 -1.0612 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1204 1.2254 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7338 -0.5587 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6597 -0.3035 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4479 -1.2725 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8015 -1.1160 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4430 -0.0482 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6318 0.8808 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2332 0.7646 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8587 0.0627 -0.0414 N 0 0 0 0 0 4 0 0 0 0 0 0
5.4475 1.0199 0.4913 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6225 -0.8929 -0.6619 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9823 -1.9305 -0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6613 -1.2366 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0597 0.9713 -0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6839 2.1686 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2651 1.3536 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0756 -1.5365 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0162 -2.1381 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4365 -1.8629 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0713 1.7428 1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6546 1.5234 1.1223 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
10 13 1 0
13 14 2 0
13 15 1 0
12 7 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
5 20 1 0
6 21 1 0
8 22 1 0
9 23 1 0
11 24 1 0
12 25 1 0
M CHG 2 13 1 15 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers