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
-1.6426 -1.0525 0.7758 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7730 0.0763 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1242 0.5986 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3841 1.7455 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2450 -0.2244 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6145 0.7422 -0.2288 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7038 0.3093 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1202 -0.7365 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4471 -1.1667 0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3785 -0.4843 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0125 0.5805 -0.8543 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6948 0.9677 -0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7496 -0.8684 -0.0360 N 0 0 0 0 0 4 0 0 0 0 0 0
5.1043 -1.8264 0.6761 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6526 -0.1845 -0.7935 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.4016 2.0912 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6091 2.3659 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6649 -0.8888 -0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1041 0.4094 0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9041 -0.9006 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7776 1.6967 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4346 -1.2858 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7706 -1.9921 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7837 1.0938 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3926 1.7958 -1.5065 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