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
2.4075 0.3775 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0296 0.0648 -0.0272 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4276 -1.2359 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0489 -1.0728 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3057 0.4026 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4728 1.0005 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 1.0062 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1660 2.1717 -0.8064 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8647 0.9726 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5364 1.0318 1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9840 -0.5409 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7881 -1.9221 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6201 -1.6406 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6332 -1.5551 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4162 -1.5494 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3630 0.4182 0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5838 2.0709 0.0270 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