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
-1.4759 1.3438 1.1209 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7467 0.4432 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1432 0.1622 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0822 0.8515 0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5014 -0.9002 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7552 -0.3135 -0.3308 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6197 -0.1161 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1174 1.0600 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5073 1.1326 0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3516 0.0983 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8309 -1.0754 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4790 -1.1897 -0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7555 0.1986 0.4393 N 0 0 0 0 0 4 0 0 0 0 0 0
5.5225 -0.7469 0.1738 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3149 1.3646 0.9325 O 0 0 0 0 0 1 0 0 0 0 0 0
-5.1335 0.6710 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8153 1.6282 1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1452 -0.5517 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9366 -1.8554 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5879 -1.1041 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0669 -1.0890 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 1.9300 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8915 2.0753 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4590 -1.9327 -0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -2.0845 -0.8158 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