3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one

C11H20N2O — CID 67986237

IUPAC3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one
SMILESCC1CCN(C2CCCN(C)C2)C1=O
InChIInChI=1S/C11H20N2O/c1-9-5-7-13(11(9)14)10-4-3-6-12(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeyXTSHGPUYJJGULR-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds1

About 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one

3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one (PubChem CID 67986237) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one
PubChem CID67986237
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one
SMILESCC1CCN(C2CCCN(C)C2)C1=O
InChIInChI=1S/C11H20N2O/c1-9-5-7-13(11(9)14)10-4-3-6-12(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeyXTSHGPUYJJGULR-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one (CID 67986237) is 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one is CC1CCN(C2CCCN(C)C2)C1=O.
What is the InChIKey of 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one?
The InChIKey is XTSHGPUYJJGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-5-7-13(11(9)14)10-4-3-6-12(2)8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one?
3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 67986237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).