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
Resources
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
2.3993 0.5659 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0066 0.1907 -0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5204 -1.1262 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9523 -1.1382 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3459 0.2798 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6006 0.6693 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1220 1.0419 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0852 2.2884 0.3373 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7839 1.0570 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5567 1.2870 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0535 -0.2956 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0261 -1.8808 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 -1.3611 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -1.6483 0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5506 -1.6239 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8764 1.7179 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4258 -0.0238 0.1956 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