Monomers
1-Methyl-3-methylene-2-pyrrolidinone
Identifiers
IUPAC name
1-methyl-3-methylidenepyrrolidin-2-one
InchI
InChI=1S/C6H9NO/c1-5-3-4-7(2)6(5)8/h1,3-4H2,2H3
InchI Key
AFXKUUDFKHVAGI-UHFFFAOYSA-N
SMILES
CN1CCC(=C)C1=O
Canonical SMILES
CN1CCC(=C)C1=O
Isomeric SMILES
CN1CCC(=C)C1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
20.31
MolLogP
0.4047
H Bond Acceptors
1
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
17 17 0 0 0 0 0 0 0 0999 V2000
-2.3578 0.6776 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9935 0.2497 0.0082 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5836 -1.1362 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9064 -1.1754 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3530 0.2018 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6073 0.5446 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1824 1.0285 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1540 2.2726 -0.4274 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5947 0.8595 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0780 -0.0896 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5196 1.6232 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -1.6956 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9352 -1.5100 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2911 -1.8343 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3179 -1.4260 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4229 -0.1609 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8868 1.5704 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 3
5 7 1 0
7 8 2 0
7 2 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
3 13 1 0
4 14 1 0
4 15 1 0
6 16 1 0
6 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers