Monomers
N-Cyclohexylmaleimide
Identifiers
IUPAC name
1-cyclohexylpyrrole-2,5-dione
InchI
InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InchI Key
BQTPKSBXMONSJI-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1C1CCCCC1
Canonical SMILES
C1CCC(CC1)N2C(=O)C=CC2=O
Isomeric SMILES
C1CCC(CC1)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H13NO2
Heavy Atom Count
13
Molecular Weight
179.219
Exact Molecular Weight
179.0946
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.2441
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
26 27 0 0 0 0 0 0 0 0999 V2000
-1.4912 1.7692 -1.3120 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0716 0.8475 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5142 0.6575 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7357 -0.4013 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4790 -0.9655 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 -1.9824 1.3818 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4150 -0.1697 0.0989 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0169 -0.3609 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6062 0.8752 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0764 0.9859 0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8221 -0.0944 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1077 -0.9419 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 -0.5792 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2756 1.2709 -1.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7092 -0.8199 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1483 -1.2384 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0845 1.7486 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2230 0.9055 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4702 1.0935 1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3257 1.9885 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7149 0.3614 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3045 -0.7779 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6049 -0.9467 -1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1134 -2.0353 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5280 0.2683 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1686 -1.4583 -1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
7 2 1 0
13 8 1 0
3 14 1 0
4 15 1 0
8 16 1 0
9 17 1 0
9 18 1 0
10 19 1 0
10 20 1 0
11 21 1 0
11 22 1 0
12 23 1 0
12 24 1 0
13 25 1 0
13 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers