Monomers
1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-
Identifiers
IUPAC name
3-methyl-1-prop-2-enylpyrrole-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3,5H,1,4H2,2H3
InchI Key
FGERGCLLTZOZLN-UHFFFAOYSA-N
SMILES
C=CCN1C(=O)C=C(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC=C
Isomeric SMILES
CC1=CC(=O)N(C1=O)CC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H9NO2
Heavy Atom Count
11
Molecular Weight
151.165
Exact Molecular Weight
151.0633
Valence Electrons
58
Radical Electrons
0
tPSA
37.38
MolLogP
0.4875
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
20 20 0 0 0 0 0 0 0 0999 V2000
3.3853 0.6205 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4104 0.6687 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7084 -0.5915 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2951 -0.4578 0.1027 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3171 -0.7973 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2239 -1.2689 -2.1831 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7347 -0.4969 -0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9519 -0.0218 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7009 0.0303 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5569 0.4386 2.1889 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2632 0.4012 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6619 -0.3213 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9323 1.4901 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1515 1.6041 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1513 -1.4552 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 -0.7936 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4892 -0.6516 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0980 0.1677 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4015 -0.0867 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2786 1.5215 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
8 11 1 0
9 4 1 0
1 12 1 0
1 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
7 17 1 0
11 18 1 0
11 19 1 0
11 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers